CAS Registry Number: 50820-65-0

Name:

1H-​Indole-​6-​carboxylic acid, methyl ester
6-​Methoxycarbonylindol​e; Indole-​6-​carboxylic acid methyl ester; Methyl 1H-​indole-​6-​carboxylate; Methyl 6-​indolecarboxylate 

Deleted CAS Registry Numbers: 1294514-​43-​4

Chemical Formula: C10H9NO2
Exact Mass: 175.06
Molecular Weight: 175.18
m/z: 175.06 (100.0%), 176.07 (11.0%)
Elemental Analysis: C, 68.56; H, 5.18; N, 8.00; O, 18.27

InChI: InChI=1S/C10H9NO2/c1-13-10(12)8-3-2-7-4-5-11-9(7)6-8/h2-6,11H,1H3
InChIKey: AYYOZKHMSABVRP-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CC2=C(C=C1)C=CN2

Specification

98%

1. (1) WSS: Wolfgang Robien / University of Vienna (Spectral Data were obtained from Wiley Subscription Services, Inc. (US))
2. (2) Li, Huanrong; Angewandte Chemie, International Edition 2011, V50(13), P2975-2978, S2975/1-S2975/46 CAPLUS
3. (3) Kasahara, Akira; Chemistry & Industry (London, United Kingdom) 1988, (2), P50-1 CAPLUS
4. (4) Kasahara, Akira; Journal of Heterocyclic Chemistry 1987, V24(6), P1555-6 CAPLUS
5. (5) Sus, Oskar; Justus Liebigs Annalen der Chemie 1955, V593, P91-126 CAPLUS
6. (6) Brown, Frederick J.; US 4894386 A 1990 CAPLUS