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CAS Number: 6433-72-3
ethyl 2-amino-1H-indole-3-carboxylate

Structure

ethyl 2-amino-1H-indole-3-carboxylate
Name: ethyl 2-amino-1H-indole-3-carboxylate
Synonyms:
General Information
Product Number: 6433723
CAS Registry Number: 6433-72-3
Name:
        1H-​Indole-​3-​carboxylic acid, 2-​amino-​, ethyl ester
        Indole-​3-​carboxylic acid, 2-​amino-​, ethyl ester (7CI,​8CI); 2-​Amino-​1H-​indole-​3-​carboxylic acid ethyl ester; 2-​Amino-​3-​carbethoxyindole; Ethyl 2-​aminoindole-​3-​carboxylate
 
Chemical Formula: C11H12N2O2
Exact Mass: 204.09
Molecular Weight: 204.23
m/z: 204.09 (100.0%), 205.09 (12.7%)
Elemental Analysis: C, 64.69; H, 5.92; N, 13.72; O, 15.67 
 
InChI: InChI=1S/C11H12N2O2/c1-2-15-11(14)9-7-5-3-4-6-8(7)13-10(9)12/h3-6,13H,2,12H2,1H3
InChIKey: KXEKODJGRSIGAU-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=C(NC2=CC=CC=C21)N
 
Thermal Properties Value Condition Note
Melting Point 180-181 °C   (3)CAS
Melting Point 179-181 °C Solv: benzene (71-43-2) (4)CAS
Melting Point 179-181 °C Solv: hexane (110-54-3); tetrahydrofuran (109-99-9) (2)CAS
Melting Point 178-180 °C Solv: benzene (71-43-2) (5)IC
Melting Point 175-177 °C   (6)CAS
Melting Point See full text   (7)CAS

Specification

98%

References
  1. (1) Diana, P.; Tetrahedron 2000, V56(29), P5177-5183 CAPLUS
  2. (2) Kobayashi, Kazuhiro; Synthesis 2011, (5), P764-768 CAPLUS
  3. (3) Yang, Xiaobo; Advanced Synthesis & Catalysis 2010, V352(6), P1033-1038 CAPLUS
  4. (4) Glushkov, R. G.; Khimiko-Farmatsevticheskii Zhurnal 1967, V1(9), P25-32 CAPLUS
  5. (5) Munshi, K. L.; Journal of Heterocyclic Chemistry 1977, V14(7), P1145-6 CAPLUS
  6. (6) Glushkov, R. G.; SU 179320 1966 CAPLUS
  7. (7) Grob, C. A.; Helvetica Chimica Acta 1961, V44, P1748-53 CAPLUS
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