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CAS Number: 69954-48-9
methyl 9H-pyrido[3,4-b]indole-3-carboxylate

Structure

 methyl 9H-pyrido[3,4-b]indole-3-carboxylate
Name: methyl 9H-pyrido[3,4-b]indole-3-carboxylate
Synonyms:
General Information
Product Number: 69954489

CAS Registry Number 69954-48-9
Name:
9H-?Pyrido[3,?4-?b]?indole-?3-?carboxylic acid, methyl ester
3-Carbomethoxy-β-carboline
3-Methoxycarbonyl-β-carboline
Methyl β-carboline-3-carboxylate
Ro 22-7497
β-CCM

 

Chemical Formula: C13H10N2O2
Exact Mass: 226.07
Molecular Weight: 226.23
m/z: 226.07 (100.0%), 227.08 (14.3%), 228.08 (1.4%)

 

InChI:InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3

InChI Key:UKHFPVCOXBJPIN-UHFFFAOYSA-N

Canonical SMILES:COC(=O)C1=NC=C2C(=C1)C3=CC=CC=C3N2

 

Thermal Properties Value Condition Note
Melting Point 261-262 °C Solv: acetonitrile (75-05-8) (6)IC
Melting Point 256-260 °C Solv: methanol (67-56-1) (7)IC
Melting Point 248-249 °C (decomp)   (8)IC
Melting Point 242.3-243.9 °C   (5)CAS
Melting Point 242-244 °C   (2)CAS
Melting Point 143-146 °C   (4)CAS

Specification

98%
References
  1. (2) Panarese, Joseph D.; Organic Letters 2010, V12(18), P4086-4089 CAPLUS
  2. (4) Tang, Jian-Guo; Synthetic Communications 2010, V40(10), P1411-1417 CAPLUS
  3. (5) Ikeda, Reiko; European Journal of Medicinal Chemistry 2011, V46(2), P636-646 CAPLUS
  4. (6) Lippke, Klaus P.; Journal of Medicinal Chemistry 1983, V26(4), P499-503 CAPLUS
  5. (7) Salvi, N. A.; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry 1990, V29B(2), P121-3 CAPLUS
  6. (8) Maclaren, John A.; Australian Journal of Chemistry 1989, V42(6), P813-21 CAPLUS
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