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CAS Number: 71086-99-2
ethyl 5-amino-1H-indole-2-carboxylate

Structure

ethyl 5-amino-1H-indole-2-carboxylate
Name: ethyl 5-amino-1H-indole-2-carboxylate
Synonyms:
General Information
Product Number: 71086992
CAS Registry Number: 71086-99-2
Name:
        1H-​Indole-​2-​carboxylic acid, 5-​amino-​, ethyl ester
        Indole-​2-​carboxylic acid, 5-​amino-​, ethyl ester (7CI); 5-​Amino-​1H-​indole-​2-​carboxylic acid ethyl ester; Ethyl 5-​amino-​1H-​indole-​2-​carboxylate; Ethyl 5-​amino-​1H-​indole-​2-​carboxylate; Ethyl 5-​aminoindole-​2-​carboxylate 
        Deleted CAS Registry Numbers: 1449586-​15-​5
 
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)10-6-7-5-8(12)3-4-9(7)13-10/h3-6,13H,2,12H2,1H3
InChIKey: WCGCOZXVVVIAEF-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=CC2=C(N1)C=CC(=C2)N
 
Thermal Properties Value Condition Note
Melting Point 129 °C   (4)IC
Melting Point 127-130 °C   (1)IC
Melting Point 126-127 °C   (5)IC
Melting Point 98 °C Solv: methanol (67-56-1) (6)IC

Specification

98%

References
  1. (1) Warpehoski, M. A.; Journal of Medicinal Chemistry 1988, V31(3), P590-603 CAPLUS
  2. (2) Pierson, Pascale David; Journal of Medicinal Chemistry 2009, V52(13), P3855-3868 CAPLUS
  3. (3) Ergueden, Jens-kerim; WO 2003028719 A1 2003 CAPLUS
  4. (4) Katti, H. A.; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry 1983, V22B(12), P1205-8 CAPLUS
  5. (5) Scriven, Eric F. V.; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) 1979, (1), P53-9 CAPLUS
  6. (6) Rajeswari, Sundaramoorthi; Journal of Heterocyclic Chemistry 1989, V26(3), P557-64 CAPLUS
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