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CAS Number: 37033-95-7
ethyl 5-(benzyloxy)-1H-indole-2-carboxylate

Structure

ethyl 5-(benzyloxy)-1H-indole-2-carboxylate
Name: ethyl 5-(benzyloxy)-1H-indole-2-carboxylate
Synonyms:
General Information
Product Number: 37033957
CAS Registry Number: 37033-95-7
Name:
        1H-​Indole-​2-​carboxylic acid, 5-​(phenylmethoxy)​-​, ethyl ester
        Indole-​2-​carboxylic acid, 5-​(benzyloxy)​-​, ethyl ester (6CI,​7CI); 2-​Carbethoxy-​5-​(benzyloxy)​indole; 5-​(Benzyloxy)​-​2-​carbethoxyindole; 5-​(Benzyloxy)​indole-​2-​carboxylic acid ethyl ester; Ethyl 5-​(benzyloxy)​-​1H-​indole-​2-​carboxylate; Ethyl 5-​(benzyloxy)​indole-​2-​carboxylate; NSC 30931 
 
Chemical Formula: C18H17NO3
Exact Mass: 295.12
Molecular Weight: 295.33
m/z: 295.12 (100.0%), 296.12 (19.8%), 297.13 (2.5%)
Elemental Analysis: C, 73.20; H, 5.80; N, 4.74; O, 16.25
 
InChI: InChI=1S/C18H17NO3/c1-2-21-18(20)17-11-14-10-15(8-9-16(14)19-17)22-12-13-6-4-3-5-7-13/h3-11,19H,2,12H2,1H3
InChIKey: DCIFXYFKVKDOLL-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=CC2=C(N1)C=CC(=C2)OCC3=CC=CC=C3
 
Thermal Properties Value Condition Note
Melting Point 162-164 °C   (3)CAS
Melting Point 162 °C   (4)IC
 

Specification

98%

References
  1. (1) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
  2. (2) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  3. (3) Boehme, Werner R.; Journal of the American Chemical Society 1953, V75, P2502-3 CAPLUS
  4. (4) Cruces, M. A.; European Journal of Medicinal Chemistry 1991, V26(1), P33-41 CAPLUS
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