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CAS Number: 18450-27-6
ethyl 3-formyl-1H-indole-2-carboxylate

Structure

ethyl 3-formyl-1H-indole-2-carboxylate
Name: ethyl 3-formyl-1H-indole-2-carboxylate
Synonyms:
General Information
Product Number: 18450276

CAS Registry Number 18450-27-6
Name:
1H-?Indole-?2-?carboxylic acid, 3-?formyl-?, ethyl ester
Indole-2-carboxylic acid, 3-formyl-, ethyl ester (7CI,8CI)
3-Formyl-1H-indole-2-carboxylic acid ethyl ester
Ethyl 3-formyl-1H-indole-2-carboxylate
Ethyl 3-formylindole-2-carboxylate

 

Chemical Formula: C12H11NO3
Exact Mass: 217.07
Molecular Weight: 217.22
m/z: 217.07 (100.0%), 218.08 (13.2%), 219.08 (1.4%)

 

InChI:InChI=1S/C12H11NO3/c1-2-16-12(15)11-9(7-14)8-5-3-4-6-10(8)13-11/h3-7,13H,2H2,1H3

InChI Key:UHTMDXSOGQARCU-UHFFFAOYSA-N

Canonical SMILES:CCOC(=O)C1=C(C2=CC=CC=C2N1)C=O

 

Thermal Properties Value Condition Note
Melting Point 191-192 °C   (5)IC
Melting Point 188-189 °C Solv: chloroform (67-66-3) (6)CAS
Melting Point 187-189 °C   (7)IC
Melting Point 187-188 °C   (3)CAS
Melting Point 185-186 °C Solv: ethanol (64-17-5) (2)CAS
Melting Point 185 °C   (8)CAS
Melting Point 182 °C   (1)CAS

Specification

98%

References
  1. (1) Ramesh, Neelamegam; Tetrahedron 2009, V65(18), P3592-3602 CAPLUS
  2. (2) Jakse, Renata; Zeitschrift fuer Naturforschung, B: Chemical Sciences 2006, V61(4), P413-419 CAPLUS
  3. (3) Kuuloja, Noora; Tetrahedron: Asymmetry 2011, V22(4), P468-475 CAPLUS
  4. (5) Monge Vega, Antonio; European Journal of Medicinal Chemistry 1978, V13(6), P573-5 CAPLUS
  5. (6) Stiller, Eric T.; US 2380479 1945 CAPLUS
  6. (7) Tani, Masanobu; Chemical & Pharmaceutical Bulletin 1990, V38(12), P3261-7 CAPLUS
  7. (8) Fischer, Hans; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen 1923, V56B, P2313-9 CAPLUS
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