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CAS Number: 63277-54-3
ethyl 3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carboxylate

Structure

ethyl 3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carboxylate
Name: ethyl 3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carboxylate
Synonyms:
General Information
Product Number: 63277543
CAS Registry Number: 63277-54-3
Name:
2H-​Pyrido[4,​3-​b]​indole-​2-​carboxylic acid, 1,​3,​4,​5-​tetrahydro-​, ethyl ester
 
Chemical Formula: C14H16N2O2
Exact Mass: 244.12
Molecular Weight: 244.29
m/z: 244.12 (100.0%), 245.12 (15.9%), 246.13 (1.5%)
Elemental Analysis: C, 68.83; H, 6.60; N, 11.47; O, 13.10
 
InChI: InChI=1S/C14H16N2O2/c1-2-18-14(17)16-8-7-13-11(9-16)10-5-3-4-6-12(10)15-13/h3-6,15H,2,7-9H2,1H3
InChIKey: AKPNWVKYAAVIIB-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)N1CCC2=C(C1)C3=CC=CC=C3N2
 
Thermal Properties Value Condition Note
Melting Point 127-129 °C Solv: ethanol (64-17-5); water (7732-18-5) (2)IC
Melting Point 121-123 °C   (3)IC
Melting Point 121 °C Solv: ethanol (64-17-5) (1)CAS

Specification

98%

References
  1. (1) Bridoux, Alexandre; Journal of Heterocyclic Chemistry 2006, V43(3), P571-578 CAPLUS
  2. (2) Welch, Willard M.; Synthesis 1977, (9), P645-6 CAPLUS
  3. (3) Harbert, Charles A.; Journal of Medicinal Chemistry 1980, V23(6), P635-43 CAPLUS
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