Day: October 15, 2021

Authors Das, A; Sharma, P; Frontera, A; Verma, AK; Barcelo-Oliver, M; Hussain, S; Bhattacharyy, MK in ELSEVIER published article about ANION-PI INTERACTIONS; X-RAY-STRUCTURE; CRYSTAL-STRUCTURE; SUPRAMOLECULAR ASSOCIATION; METAL-COMPLEXES; PYRIDINE-2,6-DICARBOXYLIC ACID; STRUCTURAL FEATURES; HOLE INTERACTION; HYDROGEN-BOND; CU(II) in [Das, Amal; Sharma, Pranay; Bhattacharyy, Manjit K.] Cotton Univ, Dept Chem, Gauhati 781001, Assam, India; [Frontera, Antonio; Barcelo-Oliver, Miquel] Univ Ies Illes Balears, Dept Quim, Crta Valldemossa Km 7-7, Palma De Mallorca 07122, Baleares, Spain; [Verma, Akalesh K.] Cotton Univ, Dept Zool, Cell & Biochem Technol Lab, Gauhati 781001, Assam, India; [Hussain, Sahid] Indian Inst Technol Patna, Dept Chem, Patna 801103, Bihar, India in 2021.0, Cited 128.0. HPLC of Formula: C5H8N2. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6

Two new coordination compounds viz. [Ni(2,6-PDC)(Hdmpz)(H2O)(2)]center dot H2O (1) and [Zn(3-CNpy)(2)Cl-2] (2) (2,6-PDC = 2,6-pyridinedicarboxylate, Hdmpz = 3,5-dimethylpyrazole, 3-CNpy = 3-cyanopyridine) have been synthesized and characterized using elemental analysis, thermogravimetric analysis, electronic, infrared spectroscopy and single crystal X-ray diffraction techniques. Crystal structure analyses reveal the presence of supramolecular assemblies involving interesting dimers with unconventional contacts in the compounds. DFT (Density Functional Theory) calculations on the supramolecular dimers in the crystal structure of 1 reveal that the sum of contributions of anion-pi, pi-pi and other long range interactions due to the approximation of the bulk monomers is energetically significant. Molecular Electrostatic Potential (MEP) surface and Quantum Theory of Atoms in Molecules (QTAIM) analyses on the interesting supramolecular dimers of the crystal structures of 2 reveal the presence of unconventional anion center dot center dot center dot pi contacts involving coordinated chlorido ligands and C-H center dot center dot center dot pi(nitrile) interactions involving the pi-system of the nitrile moiety of 3-cyanopyridine. Remarkably, Atoms in Molecules analysis also confirms the existence of energetically significant unconventional anti-parallel nitrile center dot center dot center dot nitrile interaction in the crystal structure of 2. Cell cytotoxicity of the compounds performed in Dalton’s lymphoma (DL) malignant cancer cell line showed effective potency with negligible cytotoxicity in normal cells (similar to 12%). It is interesting that compound 1has excellent cytotoxic potency with IC50 closer to cisplatin and can bind different biological targets with similar signalling pathways. Structure activity relationship (SAR) analyses of 1 and 2 based on pharmacophore modelling reveal that the molecular features associated with the structures of the compounds play important role in the biological activities. (C) 2020 Elsevier B.V. All rights reserved.

About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Das, A; Sharma, P; Frontera, A; Verma, AK; Barcelo-Oliver, M; Hussain, S; Bhattacharyy, MK or concate me.. HPLC of Formula: C5H8N2

Reference:
Pyrazole – Wikipedia,
,Pyrazoles – an overview | ScienceDirect Topics

An article The selective condensation of pyrazolones to isatins in aqueous medium WOS:000515447100005 published article about HENRY NITROALDOL REACTIONS; ORGANIC-SYNTHESIS; ON-WATER; DERIVATIVES; ANTIPYRINE; ALCOHOLS; HETEROCYCLES; CHEMISTRY; CYCLIZATION; EFFICIENT in [Zhang, Yong; Nie, Long-Jun; Luo, Lang; Mao, Jia-Xin; Liu, Jin-Xiang; Xu, Guo-Hai; Chen, Deliang; Luo, Hai-Qing] Garman Normal Univ, Key Lab Organopharmaceut Chem, Ganzhou 341000, Peoples R China in 2020, Cited 69. Recommanded Product: 86-92-0. The Name is 3-Methyl-1-p-tolyl-5-pyrazolone. Through research, I have a further understanding and discovery of 86-92-0

The selective condensation of pyrazolones with isatins using water as the reaction medium is presented. This strategy provides an environmentally benign synthetic route to synthesize various potentially bioactive pyrazolone substituted oxindoles. (C) 2020 Elsevier Ltd. All rights reserved.

About 3-Methyl-1-p-tolyl-5-pyrazolone, If you have any questions, you can contact Zhang, Y; Nie, LJ; Luo, L; Mao, JX; Liu, JX; Xu, GH; Chen, DL; Luo, HQ or concate me.. Recommanded Product: 86-92-0

Reference:
Article; Zhang, Yong; Nie, Long-Jun; Luo, Liang; Mao, Jia-Xin; Liu, Jin-Xiang; Xu, Guo-Hai; Chen, Deliang; Luo, Hai-Qing; Tetrahedron; vol. 76; 7; (2020);,
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Authors Lu, Y; Xu, WQ; Hu, KK; Jin, SW; Sun, L; Liu, B; Wang, DQ in PERGAMON-ELSEVIER SCIENCE LTD published article about METAL-ORGANIC FRAMEWORKS; COMPLEXES; ACID in [Lu, Yuan; Xu, Weiqiang; Hu, Kaikai; Jin, Shouwen; Sun, Lei; Liu, Bin] ZheJiang A&F Univ, Jiyang Coll, Zhuji 311800, Zhejiang, Peoples R China; [Lu, Yuan; Xu, Weiqiang; Hu, Kaikai; Jin, Shouwen; Sun, Lei; Liu, Bin] ZheJiang A&F Univ, Key Lab Chem Utilizat Forestry Biomass Zhejiang P, Zhuji 311300, Zhejiang, Peoples R China; [Wang, Daqi] Liaocheng Univ, Dept Chem Engn, Liaocheng 252059, Peoples R China in 2019.0, Cited 19.0. Safety of 3,5-Dimethyl-1H-pyrazole. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6

The present study pertains to the synthesis and characterizations of nine novel mixed-ligand complexes of [Zn(Hdmpz)(2)(L1)(2)] (1) (dmpz = 3,5-dimethylpyrazolate, Ll = 2-bromobenzoate), [Zn(Hdmpz)(2)(L2)(2)] (2) (L2 = 4-tert-butylbenzoate), Zn(Hdmpz)(2)(L3)(2) (3) (L3 = 2-thiophenoate), [Zn(Hdmpz)(2)(L4)(2)] (4) (L4 = 4-methylsalicylate), [Cd(Hdmpz)(2)(L5)(2)](2) (5) (L5 = 2,6-dihydroxy benzoate), [Cd (Hdmpz)(2)(L6)(2)](2).2H(2)O (6) (L6 = 3-(4-methoxy-phenylcarbamoyI)-acrylate), [Zn(Hdmpz)(2)(L7)](2) (7) (L7 = acetylenedicarboxylate), [Zn(Hdmpz)(2)(L8)] (8) (L8 = 1,2-phenylenediacetate), and [Cd(Hdmpz)(L9) (H2O)(2)].H2O (9) (L9 = 3-nitrophthalate). The resulting complexes were formulated via EA, IR, and SCXRD, and the TGA of all the complexes was also evaluated. The X-ray studies reveal that these complexes present mononuclear to dinuclear structures with tetrahedral geometry around each Zn2+, and octahedral/pentagonal bipyramidal geometry for Cd2+ The Hdmpzs in all compounds are coordinated only in monodentate fashion with its neutral N. The carboxylates at 1-4 and 3-9 function only as unidentate coordination units, the CO2- in 5 has the chelating bidentate coordination mode. Compound 6 contains both unidentate bridging and bidentate chelating COO-. The free carboxylate 0 at 2-4 and 7-8 accept the intramolecular N-H…O H-bonds, at 1 and 7 the uncoordinated O participate in the intermolecular N-H…O H-bonds. For 6 there is intermolecular N H-0 H-bond from the NHCO and H2O, and intramolecular N-H…O H-bonds from the NH at Hdmpz, the NHCO (acceptor), and one 0 at the bismonodentate coordinated COO-. One anion at 6 also gives the intramolecular N H-H-bonds from the NHCO(donor) and one O at the bismonodentate coordinated COO-. The intermolecular N-H…O H-bonds are from the phenol at both 4 and 5, and from the H2O at 9. The CH3 at Hdmpz in all compounds are participated in the noncovalent bonds except 3. The intricate intra-and intermolecular N-H…O and O-H…O H-bonds as well as C-H…N, C-H, O..O, Br…O, CH3…CH, CH2…C, CH3…C, C-H..O, CH2…O, CH3…O, C-H…S, C-H…CH3- rt, and pi…phi associations are elucidated by the X-ray crystallographic studies, which unite the discrete units into high-dimensional ordered supramolecular structures. (C) 2018 Elsevier Ltd. All rights reserved.

Safety of 3,5-Dimethyl-1H-pyrazole. About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Lu, Y; Xu, WQ; Hu, KK; Jin, SW; Sun, L; Liu, B; Wang, DQ or concate me.

Reference:
Pyrazole – Wikipedia,
,Pyrazoles – an overview | ScienceDirect Topics

Formula: C11H12N2O. In 2019 ACS OMEGA published article about C-H; BIOLOGICAL EVALUATION; PHOTOREDOX CATALYSIS; IN-VITRO; ALPHA-GLUCOSIDASE; PYRAZOLE; DERIVATIVES; POTENT; INHIBITORS; DESIGN in [Ibrahim, Hamada Mohamed; Behbehani, Haider] Kuwait Univ, Fac Sci, Chem Dept, POB 5969, Safat 13060, Kuwait; [Ibrahim, Hamada Mohamed] Fayoum Univ, Fac Sci, Chem Dept, POB 63514, Al Fayyum, Egypt in 2019, Cited 99. The Name is 3-Methyl-1-p-tolyl-5-pyrazolone. Through research, I have a further understanding and discovery of 86-92-0.

A novel, metal catalyst-free, and efficient method has been developed for the synthesis of (pyrazol-4-ylidene) pyridine derivatives. The process involves dehydrogenative coupling of 1-amino-2-imino-pyridines with 1-aryl-5pyrazolone derivatives utilizing O-2 as the sole oxidant. The new method benefits from a high atom economy, efficiency, and substrate scope, as well as the simplicity of reaction and product purification procedures.

Formula: C11H12N2O. About 3-Methyl-1-p-tolyl-5-pyrazolone, If you have any questions, you can contact Ibrahim, HM; Behbehani, H or concate me.

Reference:
Article; Zhang, Yong; Nie, Long-Jun; Luo, Liang; Mao, Jia-Xin; Liu, Jin-Xiang; Xu, Guo-Hai; Chen, Deliang; Luo, Hai-Qing; Tetrahedron; vol. 76; 7; (2020);,
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

SDS of cas: 67-51-6. Zherebtsov, MA; Arsenyev, MV; Chesnokov, SA; Cherkasov, VK in [Zherebtsov, M. A.; Arsenyev, M. V.; Chesnokov, S. A.; Cherkasov, V. K.] Russian Acad Sci, Razuvaev Inst Organometall Chem, Nizhnii Novgorod 603950, Russia; [Zherebtsov, M. A.; Arsenyev, M. V.; Cherkasov, V. K.] Lobachevskii State Univ Nizhny Novgorod, Nizhnii Novgorod 603950, Russia published Synthesis of 1-Substituted 5,5,8,8-Tetramethyl5,6,7,8-tetrahydronaphthalene-2,3-diols and 5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalene-2,3-dione in 2020.0, Cited 21.0. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6.

A one-step procedure was developed for the multigram synthesis of 5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalene-2,3-diol, and its three 1-substituted derivatives and 1-substituted 5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalene-2,3-dione were obtained.

About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Zherebtsov, MA; Arsenyev, MV; Chesnokov, SA; Cherkasov, VK or concate me.. SDS of cas: 67-51-6

Reference:
Pyrazole – Wikipedia,
,Pyrazoles – an overview | ScienceDirect Topics

Torres, JF; Macias, MA; Franco-Ulloa, S; Miscione, GP; Cobo, J; Hurtado, JJ in [Torres, Juan F.; Macias, Mario A.; Hurtado, John J.] Univ Los Andes, Dept Chem, Carrera 1 18A-12, Bogota 111711, Colombia; [Franco-Ulloa, Sebastian; Pietro Miscione, Gian] Univ Los Andes, Chem Dept, COBO Computat Bioorgan Chem Bogota, Cra 1 18A-12, Bogota 111711, Colombia; [Cobo, Justo] Univ Jaen, Dept Inorgan & Organ Chem, Jaen 23071, Spain published Cu(II) and Zn(II) Complexes with Dinitrobenzoates and Pyrazolyl Ligands: Structural and Thermal Stability Influence of N-H Moiety in 2019, Cited 53. COA of Formula: C5H8N2. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6.

The synthesis and characterization of air-stable Cu(II) and Zn(II) complexes with 3,5-dinitrobenzoate (DNB) and 3,5-dimethylpyrazole (L1) or bis(3,5-dimethylpyrazol-1-yl)methane (L2) are described. Three of these complexes exhibit a monomeric structure, while the Cu(II) complex with L2 is a trinuclear complex. Density functional theory calculations were performed to understand the unexpected formation of the three-centered compound. In agreement with the X-ray crystal structure, the N-H moiety present in LI was identified as possible driving force to obtain monomeric structures, while L2, without it, can favor the trinuclear complex formation. Thermal studies were carried for the complexes, and it was observed that the presence of the azole ligand allows the decomposition of the complexes at lower temperatures due to the presence of acidic protons, being especially important for L1.

COA of Formula: C5H8N2. About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Torres, JF; Macias, MA; Franco-Ulloa, S; Miscione, GP; Cobo, J; Hurtado, JJ or concate me.

Reference:
Pyrazole – Wikipedia,
,Pyrazoles – an overview | ScienceDirect Topics

Product Details of 67-51-6. In 2021.0 ANGEW CHEM INT EDIT published article about C-H BONDS; ALIPHATIC AMIDES; ARYLATION; AMINOBORATION; ESTERS; FUNCTIONALIZATION; ACTIVATION; SECONDARY; CONSTRUCTION; AMIDATION in [Du, Rongrong; Liu, Luhua; Xu, Senmiao] Chinese Acad Sci, Lanzhou Inst Chem Phys, State Key Lab Oxo Synth & Select Oxidat, Ctr Excellence Mol Synth,Suzhou Res Inst, Lanzhou 730000, Peoples R China; [Du, Rongrong; Liu, Luhua] Univ Chinese Acad Sci, Beijing 100049, Peoples R China; [Xu, Senmiao] Hangzhou Normal Univ, Minist Educ, Key Lab Organosilicon Chem & Mat Technol, Hangzhou 311121, Peoples R China in 2021.0, Cited 95.0. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6.

Reported herein is the pyrazole-directed iridium-catalyzed enantioselective borylation of unbiased methylene C-H bonds at the position beta to a nitrogen center. The combination of a chiral bidentate boryl ligand, iridium precursor, and pyrazole directing group was responsible for the high regio- and enantioselectivity observed. The method tolerated a vast array of functional groups to afford the corresponding C(sp(3))-H functionalization products with good to excellent enantioselectivity.

Product Details of 67-51-6. About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Du, RR; Liu, LH; Xu, SM or concate me.

Reference:
Pyrazole – Wikipedia,
,Pyrazoles – an overview | ScienceDirect Topics

In 2019.0 MENDELEEV COMMUN published article about CU(I) COMPLEXES; PHOTOPHYSICAL PROPERTIES; CRYSTAL; DESIGN in [Titov, Aleksei A.; Filippov, Oleg A.; Smol’yakov, Alexander F.; Shubina, Elena S.] Russian Acad Sci, AN Nesmeyanov Inst Organoelement Cpds, Moscow 119991, Russia; [Smol’yakov, Alexander F.] RUDN Univ, Peoples Friendship Univ Russia, Moscow 117198, Russia; [Smol’yakov, Alexander F.] GV Plekhanov Russian Univ Econ, Moscow 117997, Russia; [Averin, Alexey A.] Russian Acad Sci, AN Frumkin Inst Phys Chem & Electrochem, Moscow 199071, Russia in 2019.0, Cited 20.0. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6. Recommanded Product: 67-51-6

A reaction of [Cu(MeCN)(4)]BF4 with PzH (3,5-dimethyl-pyrazole) and BINAP [2,20-bis(diphenylphosphino)-1,10-bi-naphthyl] leads to the formation of mononuclear Cu-I complex [Cu(PzH)(BINAP)]BF4 containing the molecule of non-deprotonated pyrazole and one BINAP ligand with two phosphorus atoms chelating the metal. This complex exhibits a bright phosphorescence originating from the (3)(M+L)LCT state at room temperature. At 77 K, the emission is splitted into two components: (3)(M+L)LCT and (LC)-L-3 transitions.

Recommanded Product: 67-51-6. About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Titov, AA; Filippov, OA; Smol’yakov, AF; Averin, AA; Shubina, ES or concate me.

Reference:
Pyrazole – Wikipedia,
,Pyrazoles – an overview | ScienceDirect Topics

Bastrakov, MA; Fedorenko, AK; Starosotnikov, AM; Fedyanin, IV; Kokorekin, VA in [Bastrakov, Maxim A.; Fedorenko, Alexey K.; Starosotnikov, Alexey M.; Kokorekin, Vladimir A.] ND Zelinsky Inst Organ Chem RAS, Leninsky Prosp 47, Moscow 119991, Russia; [Fedorenko, Alexey K.] Lomonosov Moscow State Univ, Chem Dept, Leninskie Gory 1-3, Moscow 119991, Russia; [Fedyanin, Ivan, V] AN Nesmeyanov Inst Organoelement Cpds, Vavilova Str 28, Moscow 119991, Russia published Synthesis and Facile Dearomatization of Highly Electrophilic Nitroisoxazolo[4,3-b]pyridines in 2020.0, Cited 53.0. SDS of cas: 67-51-6. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6.

A number of novel 6-R-isoxazolo[4,3-b]pyridines were synthesized and their reactions with neutral C-nucleophiles (1,3-dicarbonyl compounds, pi-excessive (het)arenes, dienes) were studied. The reaction rate was found to be dependent on the nature of the substituent 6-R. The most reactive 6-nitroisoxazolo[4,3-b]pyridines are able to add C-nucleophiles in the absence of a base under mild conditions. In addition, these compounds readily undergo [4+2]-cycloaddition reactions on aromatic bonds C=C(NO2) of the pyridine ring, thus indicating the superelectrophilic nature of 6-NO2-isoxazolo[4,3-b]pyridines.

SDS of cas: 67-51-6. About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Bastrakov, MA; Fedorenko, AK; Starosotnikov, AM; Fedyanin, IV; Kokorekin, VA or concate me.

Reference:
Pyrazole – Wikipedia,
,Pyrazoles – an overview | ScienceDirect Topics

An article Cu(i)-Catalyzed asymmetric exo-selective synthesis of substituted pyrrolidines via a 1,3-dipolar cycloaddition reaction WOS:000649746700001 published article about ENANTIOSELECTIVE 3+2 CYCLOADDITION; AZOMETHINE YLIDES; CONSTRUCTION; DIASTEREO; DIPOLAROPHILES; DERIVATIVES; CATALYSTS; STEREOSELECTIVITY; COMPLEXES; FRAMEWORK in [Biswas, Rayhan G.; Kannaujiya, Vinod K.; Unhale, Rajshekhar A.] Indian Inst Sci Educ & Res Bhopal, Dept Chem, Bhopal 462066, Madhya Pradesh, India; [Ray, Sumit K.] Kharagpur Coll, Dept Chem, Paschim Medinipur 721305, W Bengal, India; [Singh, Vinod K.] Indian Inst Technol Kanpur, Dept Chem, Kanpur 208016, Uttar Pradesh, India in 2021.0, Cited 85.0. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6. Recommanded Product: 3,5-Dimethyl-1H-pyrazole

An (R)-DM-BINAP/Cu(CH3CN)(4)BF4 complex catalyzed exo-selective asymmetric 1,3-dipolar cycloaddition (1,3-DCA) reaction of imino esters with alpha,beta-unsaturated pyrazoleamides has been developed. A series of highly functionalized pyrrolidines with multiple stereogenic centers were obtained with good yields and diastereoselectivities and excellent enantioselectivities (up to 99% ee).

Recommanded Product: 3,5-Dimethyl-1H-pyrazole. About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Biswas, RG; Ray, SK; Kannaujiya, VK; Unhale, RA; Singh, VK or concate me.

Reference:
Pyrazole – Wikipedia,
,Pyrazoles – an overview | ScienceDirect Topics