Cas no 950858-13-6 (1-tert-butyl-5-chloropyrazole-4-carboxylic Acid)
1-tert-Butyl-5-chloropyrazole-4-carboxylic Acid is a versatile pyrazole-based carboxylic acid derivative, primarily utilized as a key intermediate in pharmaceutical and agrochemical synthesis. Its tert-butyl group enhances steric hindrance, improving selectivity in reactions, while the chloro substituent offers reactivity for further functionalization. The carboxylic acid moiety provides a handle for derivatization, enabling the formation of amides, esters, and other derivatives. This compound is valued for its stability under standard conditions and compatibility with a range of synthetic transformations. Its structural features make it particularly useful in the development of biologically active compounds, including potential drug candidates and crop protection agents.
950858-13-6 structure
Product Name:1-tert-butyl-5-chloropyrazole-4-carboxylic Acid
CAS No:950858-13-6
MF:C8H11ClN2O2
MW:202.638140916824
MDL:MFCD16657157
CID:1086960
PubChem ID:53423553
Update Time:2025-10-15
1-tert-butyl-5-chloropyrazole-4-carboxylic Acid Chemical and Physical Properties
Names and Identifiers
-
- 1-(tert-Butyl)-5-chloro-1H-pyrazole-4-carboxylic acid
- 1-tert-butyl-5-chloropyrazole-4-carboxylic acid
- MFCD16657157
- DTXSID20698342
- SCHEMBL1406800
- YDBCDQQDDFYTSW-UHFFFAOYSA-N
- 1-(t-Butyl)-5-chloro-1H-pyrazole-4-carboxylic acid
- 1-TERT-BUTYL-5-CHLORO-1H-PYRAZOLE-4-CARBOXYLIC ACID
- AKOS022185051
- EN300-1124654
- AS-54953
- W11480
- 950858-13-6
- 1-(tert-Butyl)-5-chloro-1H-pyrazole-4-carboxylicacid
- DB-161778
- 1-tert-butyl-5-chloropyrazole-4-carboxylic Acid
-
- MDL： MFCD16657157
- Inchi： 1S/C8H11ClN2O2/c1-8(2,3)11-6(9)5(4-10-11)7(12)13/h4H,1-3H3,(H,12,13)
- InChI Key： YDBCDQQDDFYTSW-UHFFFAOYSA-N
- SMILES： ClC1=C(C(=O)O)C=NN1C(C)(C)C
Computed Properties
- Exact Mass: 202.0509053g/mol
- Monoisotopic Mass: 202.0509053g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 215
- 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: 1.6
- Topological Polar Surface Area: 55.1?2
1-tert-butyl-5-chloropyrazole-4-carboxylic Acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM283425-1g |
1-(tert-Butyl)-5-chloro-1H-pyrazole-4-carboxylic acid |
950858-13-6 | 95% | 1g |
$631 | 2021-08-18 | |
| Chemenu | CM283425-5g |
1-(tert-Butyl)-5-chloro-1H-pyrazole-4-carboxylic acid |
950858-13-6 | 95% | 5g |
$1893 | 2021-08-18 | |
| TRC | B872233-10mg |
1-tert-butyl-5-chloropyrazole-4-carboxylic Acid |
950858-13-6 | 10mg |
$ 70.00 | 2022-06-06 | ||
| TRC | B872233-50mg |
1-tert-butyl-5-chloropyrazole-4-carboxylic Acid |
950858-13-6 | 50mg |
$ 250.00 | 2022-06-06 | ||
| TRC | B872233-100mg |
1-tert-butyl-5-chloropyrazole-4-carboxylic Acid |
950858-13-6 | 100mg |
$ 365.00 | 2022-06-06 | ||
| Chemenu | CM283425-1g |
1-(tert-Butyl)-5-chloro-1H-pyrazole-4-carboxylic acid |
950858-13-6 | 95% | 1g |
$631 | 2023-02-01 | |
| Chemenu | CM283425-5g |
1-(tert-Butyl)-5-chloro-1H-pyrazole-4-carboxylic acid |
950858-13-6 | 95% | 5g |
$1893 | 2023-02-01 | |
| abcr | AB487675-250 mg |
1-(t-Butyl)-5-chloro-1H-pyrazole-4-carboxylic acid |
950858-13-6 | 250MG |
€471.10 | 2022-07-29 | ||
| abcr | AB487675-1 g |
1-(t-Butyl)-5-chloro-1H-pyrazole-4-carboxylic acid |
950858-13-6 | 1g |
€1,108.70 | 2022-07-29 | ||
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | B945244-100mg |
1-(tert-Butyl)-5-chloro-1H-pyrazole-4-carboxylic acid |
950858-13-6 | ≥95% | 100mg |
￥954.00 | 2022-09-02 |
1-tert-butyl-5-chloropyrazole-4-carboxylic Acid Related Literature
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
950858-13-6 (1-tert-butyl-5-chloropyrazole-4-carboxylic Acid) Related Products
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