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CAS Number: 74214-62-3
ethyl 9H-pyrido[3,4-b]indole-3-carboxylate

Structure

 ethyl 9H-pyrido[3,4-b]indole-3-carboxylate
Name: ethyl 9H-pyrido[3,4-b]indole-3-carboxylate
Synonyms:
General Information
Product Number: 74214623

CAS Registry Number 74214-62-3
Name:
9H-?Pyrido[3,?4-?b]?indole-?3-?carboxylic acid, ethyl ester
3-(Ethoxycarbonyl)-β-carboline
3-Carboethoxy-9H-pyrido[3,4-b]indole
3-Carboxy-β-carboline ethyl ester
Ethyl 9H-pyrido[3,4-b]indole-3-carboxylate
Ethyl 9H-β-carboline-3-carboxylate

 

Chemical Formula: C14H12N2O2
Exact Mass: 240.09
Molecular Weight: 240.26
m/z: 240.09 (100.0%), 241.09 (16.0%), 242.10 (1.1%)

 

InChl:InChI=1S/C14H12N2O2/c1-2-18-14(17)12-7-10-9-5-3-4-6-11(9)16-13(10)8-15-12/h3-8,16H,2H2,1H3

InChI Key:KOVRZNUMIKACTB-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Melting Point 231-232 °C Solv: ethanol (64-17-5) (5)IC
Melting Point 229-230 °C Solv: methanol (67-56-1) (3)IC
Melting Point 228 °C   (6)IC
Melting Point 227-229 °C Solv: ethanol (64-17-5) (7)IC
Melting Point 225-228 °C   (8)IC
Melting Point 225-227 °C Solv: ethanol (64-17-5) (4)CAS
Melting Point 224 °C Solv: ethanol (64-17-5) (9)IC

Specification

98%
References
  1. (3) Koike, Kazuo; Phytochemistry 1990, V29(9), P3060-1 CAPLUS
  2. (4) Yin, Wenyuan; Bioorganic & Medicinal Chemistry 2010, V18(21), P7548-7564 CAPLUS
  3. (5) Lippke, Klaus P.; Journal of Medicinal Chemistry 1983, V26(4), P499-503 CAPLUS
  4. (6) Huth, Andreas; Archiv der Pharmazie (Weinheim, Germany) 1988, V321(5), P297-301 CAPLUS
  5. (7) Maclaren, John A.; Australian Journal of Chemistry 1989, V42(6), P813-21 CAPLUS
  6. (8) Plate, Ralf; Heterocycles 1986, V24(11), P3105-14 CAPLUS
  7. (9) Mehta, Pratibha; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry 1988, V27B(2), P140-3 CAPLUS
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