| Identification | Back Directory | [Name]
1H-Indole-2-carboxylic acid, 4-Methyl-, ethyl ester | [CAS]
16732-80-2 | [Synonyms]
Ethyl 4-Methyl-1H-indole-2-carboxylate
4-methyl-1H-indole-2-carboxylic acid ethyl ester
4-Methylindole-2-carboxylic acid ethyl ester, 98%
1H-Indole-2-carboxylic acid, 4-Methyl-, ethyl ester | [Molecular Formula]
C12H13NO2 | [MDL Number]
MFCD00981705 | [MOL File]
16732-80-2.mol | [Molecular Weight]
203.24 |
| Chemical Properties | Back Directory | [Melting point ]
140-141 °C | [Boiling point ]
355.6±22.0 °C(Predicted) | [density ]
1.177±0.06 g/cm3(Predicted) | [storage temp. ]
2-8°C | [pka]
15.37±0.30(Predicted) | [Appearance]
White to light yellow Solid | [InChI]
InChI=1S/C12H13NO2/c1-3-15-12(14)11-7-9-8(2)5-4-6-10(9)13-11/h4-7,13H,3H2,1-2H3 | [InChIKey]
ZUJVXCIAKURESZ-UHFFFAOYSA-N | [SMILES]
N1C2=C(C(C)=CC=C2)C=C1C(OCC)=O |
| Hazard Information | Back Directory | [Synthesis]
The general procedure for the synthesis of ethyl 4-methyl-1hydro-indole-2-carboxylate from the compound (CAS: 24512-97-8) was as follows: 19.5 g (0.0844 mol) of the azide prepared in step 1 was added in batches to 100 mL of xylene preheated to 140 °C. After the addition was completed, the reaction mixture was kept at 140 °C for 1 hour. At the end of the reaction, the xylene was removed by concentration via reduced pressure distillation, and the residue was dissolved in isopropyl ether, filtered, and dried under vacuum at 40 °C for 18 h to give a white crystalline product. The melting point of the product was 141 °C and the yield was 62%. | [References]
[1] Journal of the Chemical Society, Chemical Communications, 1982, # 1, p. 3 - 4
[2] Patent: US2004/43995, 2004, A1. Location in patent: Page 13 |
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