Cas no 672957-99-2 (1-methyl-1H-1,3-benzodiazole-7-carboxylic acid)
1-Methyl-1H-1,3-benzodiazole-7-carboxylic acid is a heterocyclic carboxylic acid derivative with a benzodiazole core structure. Its key advantages include its role as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals and agrochemicals. The methyl substitution at the 1-position enhances stability, while the carboxylic acid group at the 7-position offers functionalization potential for further derivatization. This compound exhibits good solubility in polar organic solvents, facilitating its use in coupling reactions and other synthetic transformations. Its rigid benzodiazole scaffold contributes to its utility in designing biologically active molecules, making it valuable for medicinal chemistry research and development.
672957-99-2 structure
Product Name:1-methyl-1H-1,3-benzodiazole-7-carboxylic acid
CAS No:672957-99-2
MF:C9H8N2O2
MW:176.172021865845
CID:852315
PubChem ID:21893704
Update Time:2025-08-14
1-methyl-1H-1,3-benzodiazole-7-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole-7-carboxylicacid,1-methyl-(9CI)
- 3-methylbenzimidazole-4-carboxylic acid
- EN300-191367
- Z1504672876
- AKOS022909538
- 1-methyl-1H-1,3-benzodiazole-7-carboxylic acid
- 1-Methyl-1H-benzimidazole-7-carboxylic acid
- 672957-99-2
- DTXSID901262373
- SCHEMBL7425056
- 1-Methyl-1H-benzo[d]imidazole-7-carboxylic acid
-
- Inchi： 1S/C9H8N2O2/c1-11-5-10-7-4-2-3-6(8(7)11)9(12)13/h2-5H,1H3,(H,12,13)
- InChI Key： KGMXGKIPZPNWST-UHFFFAOYSA-N
- SMILES： OC(C1=CC=CC2=C1N(C)C=N2)=O
Computed Properties
- Exact Mass: 176.058577502g/mol
- Monoisotopic Mass: 176.058577502g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 220
- 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
- Topological Polar Surface Area: 55.1?2
1-methyl-1H-1,3-benzodiazole-7-carboxylic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | M643330-5mg |
1-methyl-1H-1,3-benzodiazole-7-carboxylic acid |
672957-99-2 | 5mg |
$ 50.00 | 2022-06-03 | ||
| TRC | M643330-10mg |
1-methyl-1H-1,3-benzodiazole-7-carboxylic acid |
672957-99-2 | 10mg |
$ 70.00 | 2022-06-03 | ||
| TRC | M643330-50mg |
1-methyl-1H-1,3-benzodiazole-7-carboxylic acid |
672957-99-2 | 50mg |
$ 295.00 | 2022-06-03 | ||
| Enamine | EN300-191367-0.05g |
1-methyl-1H-1,3-benzodiazole-7-carboxylic acid |
672957-99-2 | 95% | 0.05g |
$212.0 | 2023-09-17 | |
| Enamine | EN300-191367-0.1g |
1-methyl-1H-1,3-benzodiazole-7-carboxylic acid |
672957-99-2 | 95% | 0.1g |
$317.0 | 2023-09-17 | |
| Enamine | EN300-191367-0.25g |
1-methyl-1H-1,3-benzodiazole-7-carboxylic acid |
672957-99-2 | 95% | 0.25g |
$452.0 | 2023-09-17 | |
| Enamine | EN300-191367-0.5g |
1-methyl-1H-1,3-benzodiazole-7-carboxylic acid |
672957-99-2 | 95% | 0.5g |
$713.0 | 2023-09-17 | |
| Enamine | EN300-191367-1.0g |
1-methyl-1H-1,3-benzodiazole-7-carboxylic acid |
672957-99-2 | 95% | 1g |
$914.0 | 2023-05-31 | |
| Enamine | EN300-191367-2.5g |
1-methyl-1H-1,3-benzodiazole-7-carboxylic acid |
672957-99-2 | 95% | 2.5g |
$1791.0 | 2023-09-17 | |
| Enamine | EN300-191367-5.0g |
1-methyl-1H-1,3-benzodiazole-7-carboxylic acid |
672957-99-2 | 95% | 5g |
$2650.0 | 2023-05-31 |
1-methyl-1H-1,3-benzodiazole-7-carboxylic acid Related Literature
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
-
Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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