- Preparation of triazine-oxadiazoles for the treatment of chronic pain, World Intellectual Property Organization, , ,
Cas no 942853-22-7 (1-(2,2,2-Trifluoroethyl)-1H-pyrazole-3-carboxylic acid)
942853-22-7 structure
Product Name:1-(2,2,2-Trifluoroethyl)-1H-pyrazole-3-carboxylic acid
CAS No:942853-22-7
MF:C6H5F3N2O2
MW:194.111311674118
MDL:MFCD08556202
CID:1068021
PubChem ID:16490806
Update Time:2024-10-25
1-(2,2,2-Trifluoroethyl)-1H-pyrazole-3-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 1-(2,2,2-Trifluoroethyl)-1H-pyrazole-3-carboxylic acid
- 1-(2,2,2-Trifluoroethyl)-1H-pyrazole-3-carboxylic acid (ACI)
- 1-(2,2,2-Trifluoroethyl)pyrazole-3-carboxylic acid
- BBL008561
- 942853-22-7
- 1H-Pyrazole-3-carboxylic acid, 1-(2,2,2-trifluoroethyl)-
- AKOS000308144
- 1-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxylicacid
- STK292772
- DB-131387
- AKOS B009011
- SCHEMBL297632
- CS-0155607
- Z1198179985
- MFCD08556202
- EN300-92724
- D82197
- KS-9202
- ALBB-012505
-
- MDL： MFCD08556202
- Inchi： 1S/C6H5F3N2O2/c7-6(8,9)3-11-2-1-4(10-11)5(12)13/h1-2H,3H2,(H,12,13)
- InChI Key： OJXAMYQOVDVCHO-UHFFFAOYSA-N
- SMILES： O=C(C1C=CN(CC(F)(F)F)N=1)O
Computed Properties
- Exact Mass: 194.03031189g/mol
- Monoisotopic Mass: 194.03031189g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 207
- 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: 1.1
- Topological Polar Surface Area: 55.1?2
1-(2,2,2-Trifluoroethyl)-1H-pyrazole-3-carboxylic acid Security Information
-
Hazardous Material Identification：
- HazardClass：IRRITANT
1-(2,2,2-Trifluoroethyl)-1H-pyrazole-3-carboxylic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B588105-50mg |
1-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxylic Acid |
942853-22-7 | 50mg |
$ 50.00 | 2022-06-07 | ||
| TRC | B588105-100mg |
1-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxylic Acid |
942853-22-7 | 100mg |
$ 70.00 | 2022-06-07 | ||
| TRC | B588105-500mg |
1-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxylic Acid |
942853-22-7 | 500mg |
$ 275.00 | 2022-06-07 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 031146-500mg |
1-(2,2,2-Trifluoroethyl)-1H-pyrazole-3-carboxylic acid |
942853-22-7 | 500mg |
5071CNY | 2021-05-07 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-ZH881-100mg |
1-(2,2,2-Trifluoroethyl)-1H-pyrazole-3-carboxylic acid |
942853-22-7 | 95% | 100mg |
899CNY | 2021-05-07 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-ZH881-250mg |
1-(2,2,2-Trifluoroethyl)-1H-pyrazole-3-carboxylic acid |
942853-22-7 | 95% | 250mg |
2085CNY | 2021-05-07 | |
| Apollo Scientific | PC900791-100mg |
1-(2,2,2-Trifluoroethyl)-1H-pyrazole-3-carboxylic acid |
942853-22-7 | 95% | 100mg |
￡231.00 | 2025-02-22 | |
| Apollo Scientific | PC900791-250mg |
1-(2,2,2-Trifluoroethyl)-1H-pyrazole-3-carboxylic acid |
942853-22-7 | 95% | 250mg |
￡410.00 | 2025-02-22 | |
| Apollo Scientific | PC900791-1g |
1-(2,2,2-Trifluoroethyl)-1H-pyrazole-3-carboxylic acid |
942853-22-7 | 95% | 1g |
￡823.00 | 2025-02-22 | |
| eNovation Chemicals LLC | D758139-100mg |
1-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxylic acid |
942853-22-7 | 95% | 100mg |
$185 | 2024-06-06 |
1-(2,2,2-Trifluoroethyl)-1H-pyrazole-3-carboxylic acid Production Method
Production Method 1
Reaction Conditions
1.1 Reagents: Lithium hydroxide Solvents: Methanol , 2,5-Dimethyl 2,5-pyridinedicarboxylate , Water ; 16 h, rt
1.2 Reagents: Hydrogen ion Solvents: Water ; neutralized
1.2 Reagents: Hydrogen ion Solvents: Water ; neutralized
Reference
Production Method 2
Reaction Conditions
1.1 Reagents: Sodium hydroxide Solvents: Ethanol , Water ; 30 min, 80 °C
Reference
- 2-Oxoimidazolidine-4-carboxamides as NaV1.8 inhibitors and their preparation, World Intellectual Property Organization, , ,
1-(2,2,2-Trifluoroethyl)-1H-pyrazole-3-carboxylic acid Raw materials
- ethyl 1-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxylate
- methyl 1-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxylate
1-(2,2,2-Trifluoroethyl)-1H-pyrazole-3-carboxylic acid Preparation Products
1-(2,2,2-Trifluoroethyl)-1H-pyrazole-3-carboxylic acid Related Literature
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
942853-22-7 (1-(2,2,2-Trifluoroethyl)-1H-pyrazole-3-carboxylic acid) Related Products
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