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CAS Number: 3464-66-2
methyl 9H-pyrido[3,4-b]indole-1-carboxylate

Structure

 methyl 9H-pyrido[3,4-b]indole-1-carboxylate
Name: methyl 9H-pyrido[3,4-b]indole-1-carboxylate
Synonyms:
General Information
Product Number: 3464662

CAS Registry Number 3464-66-2
Name:
9H-?Pyrido[3,?4-?b]?indole-?1-?carboxylic acid, methyl ester
1-Carbomethoxy-β-carboline
1-Methoxycarbonyl-β-carboline
Methyl β-carboline-1-carboxylate

 

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)12-11-9(6-7-14-12)8-4-2-3-5-10(8)15-11/h2-7,15H,1H3

InChI Key:FRNCTTUBAHKEBZ-UHFFFAOYSA-N

Canonical SMILES:COC(=O)C1=NC=CC2=C1NC3=CC=CC=C23

 

Thermal Properties Value Condition Note
Melting Point 168-168.5 °C   (7)CAS
Melting Point 166 °C   (8)CAS
Melting Point 165.3-166 °C   (9)CAS
Melting Point 165-167 °C   (10)CAS
Melting Point 164-165 °C   (11)CAS
Melting Point 163-165 °C Solv: acetone (67-64-1) (5)IC
Melting Point 162-163 °C Solv: ethyl ether (60-29-7) (6)IC
Melting Point See full text   (4)CAS

Specification

98%
References
  1. (4) Kuwada, Takeshi; Heterocycles 2002, V58, P325-332 CAPLUS
  2. (5) Barbetti, P.; Planta Medica 1987, V53(3), P289-90 CAPLUS
  3. (6) Wu, Feng E.; Chemical & Pharmaceutical Bulletin 1989, V37(7), P1808-9 CAPLUS
  4. (7) Kimura, Yushiro; Yakugaku Zasshi 1967, V87(11), P1371-3 CAPLUS
  5. (8) Achenbach, H.; Journal of the American Chemical Society 1965, V87(18), P4177-81 CAPLUS
  6. (9) Snyder, H. R.; Journal of the American Chemical Society 1949, V71, P527-9 CAPLUS
  7. (10) Kump, Christl; Helvetica Chimica Acta 1963, V46(2), P49-505 CAPLUS
  8. (11) Inamoto, Naoki; Bulletin of the Chemical Society of Japan 1961, V34, P888-9 CAPLUS
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