Cas no 923283-85-6 (1H-Pyrazole-3-carboxylic acid, 1-(1-methylethyl)-4-nitro-, methyl ester)
1H-Pyrazole-3-carboxylic acid, 1-(1-methylethyl)-4-nitro-, methyl ester is a pyrazole derivative with a nitro substituent at the 4-position and an isopropyl group at the 1-position, esterified with a methyl group. This compound is of interest in synthetic organic chemistry due to its versatile reactivity, particularly as an intermediate in the preparation of pharmaceuticals, agrochemicals, and other fine chemicals. The nitro group enhances electrophilic properties, facilitating further functionalization, while the ester moiety offers flexibility for hydrolysis or transesterification. Its structural features make it suitable for applications in heterocyclic synthesis, where precise substitution patterns are required. The compound is typically handled under controlled conditions due to its potential sensitivity.
923283-85-6 structure
Product Name:1H-Pyrazole-3-carboxylic acid, 1-(1-methylethyl)-4-nitro-, methyl ester
CAS No:923283-85-6
MF:C8H11N3O4
MW:213.190641641617
CID:737834
PubChem ID:66509580
Update Time:2025-06-07
1H-Pyrazole-3-carboxylic acid, 1-(1-methylethyl)-4-nitro-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-3-carboxylic acid, 1-(1-methylethyl)-4-nitro-, methyl ester
- methyl 4-nitro-1-propan-2-ylpyrazole-3-carboxylate
- Methyl 1-isopropyl-4-nitro-1H-pyrazole-3-carboxylate
- AKOS015921253
- DTXSID00734994
- A929353
- SCHEMBL12725290
- 923283-85-6
- 1-Isopropyl-4-nitro-1H-pyrazole-3-carboxylic acid methyl ester
- Methyl 4-nitro-1-(propan-2-yl)-1H-pyrazole-3-carboxylate
-
- Inchi： 1S/C8H11N3O4/c1-5(2)10-4-6(11(13)14)7(9-10)8(12)15-3/h4-5H,1-3H3
- InChI Key： NYZVRMZHMLYEQW-UHFFFAOYSA-N
- SMILES： O(C)C(C1C(=CN(C(C)C)N=1)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 213.07495584g/mol
- Monoisotopic Mass: 213.07495584g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 263
- 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: 0.9
- Topological Polar Surface Area: 89.9?2
1H-Pyrazole-3-carboxylic acid, 1-(1-methylethyl)-4-nitro-, methyl ester Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1626051-100mg |
Methyl 1-isopropyl-4-nitro-1H-pyrazole-3-carboxylate |
923283-85-6 | 98% | 100mg |
￥1333.00 | 2024-04-25 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1626051-250mg |
Methyl 1-isopropyl-4-nitro-1H-pyrazole-3-carboxylate |
923283-85-6 | 98% | 250mg |
￥1335.00 | 2024-04-25 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1626051-500mg |
Methyl 1-isopropyl-4-nitro-1H-pyrazole-3-carboxylate |
923283-85-6 | 98% | 500mg |
￥3003.00 | 2024-04-25 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1626051-1g |
Methyl 1-isopropyl-4-nitro-1H-pyrazole-3-carboxylate |
923283-85-6 | 98% | 1g |
￥2884.00 | 2024-04-25 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1626051-2g |
Methyl 1-isopropyl-4-nitro-1H-pyrazole-3-carboxylate |
923283-85-6 | 98% | 2g |
￥4145.00 | 2024-04-25 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1626051-5g |
Methyl 1-isopropyl-4-nitro-1H-pyrazole-3-carboxylate |
923283-85-6 | 98% | 5g |
￥7282.00 | 2024-04-25 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1626051-10g |
Methyl 1-isopropyl-4-nitro-1H-pyrazole-3-carboxylate |
923283-85-6 | 98% | 10g |
￥12070.00 | 2024-04-25 |
1H-Pyrazole-3-carboxylic acid, 1-(1-methylethyl)-4-nitro-, methyl ester Related Literature
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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