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CAS Number: 865717-46-0
tert-butyl 6-iodo-9H-pyrido[3,4-b]indole-3-carboxylate

Structure

tert-butyl 6-iodo-9H-pyrido[3,4-b]indole-3-carboxylate
Name: tert-butyl 6-iodo-9H-pyrido[3,4-b]indole-3-carboxylate
Synonyms:
General Information
Product Number: 865717460

CAS Registry Number 865717-46-0
Name:
9H-?Pyrido[3,?4-?b]?indole-?3-?carboxylic acid, 6-?iodo-?, 1,?1-?dimethylethyl ester

 

Chemical Formula: C16H15IN2O2
Exact Mass: 394.02
Molecular Weight: 394.21
m/z: 394.02 (100.0%), 395.02 (17.6%), 396.02 (1.9%)

 

InChI:InChI=1S/C16H15IN2O2/c1-16(2,3)21-15(20)13-7-11-10-6-9(17)4-5-12(10)19-14(11)8-18-13/h4-8,19H,1-3H3

InChI Key:RQCRZVPWNJSJSP-UHFFFAOYSA-N

Canonical SMILES:CC(C)(C)OC(=O)C1=NC=C2C(=C1)C3=C(N2)C=CC(=C3)I

 

Thermal Properties Value Condition Note
Melting Point 347-348 °C (decomp)   (1)CAS

Specification

98%

References
  1. (1) Yin, Wenyuan; Bioorganic & Medicinal Chemistry 2010, V18(21), P7548-7564 CAPLUS
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