- Application of Photoclick Chemistry for the Synthesis of Pyrazoles via 1,3-Dipolar Cycloaddition between Alkynes and Nitrilimines Generated In SituRemy, Richard ; Bochet, Christian G., European Journal of Organic Chemistry, 2018, 2018(3), 316-328
Cas no 7189-03-9 (1H-Pyrazole-4-carboxylic acid, 1,3-diphenyl-, ethyl ester)
7189-03-9 structure
Product Name:1H-Pyrazole-4-carboxylic acid, 1,3-diphenyl-, ethyl ester
CAS No:7189-03-9
MF:C18H16N2O2
MW:292.331844329834
CID:544863
PubChem ID:882876
Update Time:2025-04-19
1H-Pyrazole-4-carboxylic acid, 1,3-diphenyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-4-carboxylic acid, 1,3-diphenyl-, ethyl ester
- 7189-03-9
- CCG-304476
- Ethyl 1,3-diphenyl-1H-pyrazole-4-carboxylate
- AKOS001011859
- SCHEMBL22331103
- DTXSID00358250
- ethyl 1,3-diphenylpyrazole-4-carboxylate
- TQP1135
- Z53838155
-
- Inchi： 1S/C18H16N2O2/c1-2-22-18(21)16-13-20(15-11-7-4-8-12-15)19-17(16)14-9-5-3-6-10-14/h3-13H,2H2,1H3
- InChI Key： UWEPGNDDAIRWGC-UHFFFAOYSA-N
- SMILES： O(CC)C(C1=CN(C2C=CC=CC=2)N=C1C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 292.12128
- Monoisotopic Mass: 292.121177757g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 22
- Rotatable Bond Count: 5
- Complexity: 362
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.8
- Topological Polar Surface Area: 44.1?2
Experimental Properties
- PSA: 44.12
1H-Pyrazole-4-carboxylic acid, 1,3-diphenyl-, ethyl ester Production Method
Production Method 1
Reaction Conditions
1.1 Solvents: Acetonitrile ; 1 h, rt
Reference
Production Method 2
Reaction Conditions
Reference
- Microwave-assisted 1,3-dipolar cycloaddition reactions of nitrilimines and nitrile oxidesKaddar, Hafida; Hamelin, Jack; Benhaoua, Hadj, Journal of Chemical Research, 1999, (12), 718-719
1H-Pyrazole-4-carboxylic acid, 1,3-diphenyl-, ethyl ester Raw materials
1H-Pyrazole-4-carboxylic acid, 1,3-diphenyl-, ethyl ester Preparation Products
1H-Pyrazole-4-carboxylic acid, 1,3-diphenyl-, ethyl ester Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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