Cas no 1803715-23-2 (Ethyl 3-cyano-4-hydroxymethyl-2-methylbenzoate)
Ethyl 3-cyano-4-hydroxymethyl-2-methylbenzoate is a versatile benzoate ester derivative featuring both cyano and hydroxymethyl functional groups. Its molecular structure, incorporating an ethyl ester moiety, enhances solubility in organic solvents, making it suitable for synthetic applications. The presence of reactive groups allows for further functionalization, particularly in pharmaceutical and fine chemical synthesis. The hydroxymethyl group offers potential for derivatization, while the cyano group can participate in nucleophilic addition reactions. This compound is valued for its stability under standard conditions and its utility as an intermediate in heterocyclic and medicinal chemistry research. Its well-defined structure ensures reproducibility in synthetic pathways.
1803715-23-2 structure
Product Name:Ethyl 3-cyano-4-hydroxymethyl-2-methylbenzoate
CAS No:1803715-23-2
MF:C12H13NO3
MW:219.236523389816
CID:4789367
Update Time:2025-05-22
Ethyl 3-cyano-4-hydroxymethyl-2-methylbenzoate Chemical and Physical Properties
Names and Identifiers
-
- Ethyl 3-cyano-4-hydroxymethyl-2-methylbenzoate
-
- Inchi: 1S/C12H13NO3/c1-3-16-12(15)10-5-4-9(7-14)11(6-13)8(10)2/h4-5,14H,3,7H2,1-2H3
- InChI Key: IGPMJIKXJNDGLJ-UHFFFAOYSA-N
- SMILES: O(CC)C(C1C=CC(CO)=C(C#N)C=1C)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 294
- XLogP3: 1.3
- Topological Polar Surface Area: 70.3
Ethyl 3-cyano-4-hydroxymethyl-2-methylbenzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A010010866-1g |
Ethyl 3-cyano-4-hydroxymethyl-2-methylbenzoate |
1803715-23-2 | 97% | 1g |
1,519.80 USD | 2021-05-27 |
Ethyl 3-cyano-4-hydroxymethyl-2-methylbenzoate Related Literature
-
M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
-
S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
-
J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
-
Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
1803715-23-2 (Ethyl 3-cyano-4-hydroxymethyl-2-methylbenzoate) Related Products
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
- 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
- 2034271-14-0(2-(1H-indol-3-yl)-N-{[6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}acetamide)
Recommended suppliers
煙臺(tái)朗裕新材料科技有限公司
Gold Member
CN Supplier
Reagent
Nantong Boya Environmental Protection Technology Co., Ltd
Gold Member
CN Supplier
Bulk
Yunnanjiuzhen
Gold Member
CN Supplier
Bulk
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
CN Supplier
Bulk
Shanghai Pearlk Chemicals Co., Ltd.
Gold Member
CN Supplier
Bulk