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CAS Number: 16382-15-3
ethyl 5-methyl-1H-indole-2-carboxylate

Structure

ethyl 5-methyl-1H-indole-2-carboxylate
Name: ethyl 5-methyl-1H-indole-2-carboxylate
Synonyms:
General Information
Product Number: 16382153
CAS Registry Number: 16382-15-3
Name:
        1H-​Indole-​2-​carboxylic acid, 5-​methyl-​, ethyl ester
        Indole-​2-​carboxylic acid, 5-​methyl-​, ethyl ester (6CI,​8CI); 5-​Methyl-​1H-​indole-​2-​carboxylic acid ethyl ester; Ethyl 5-​methyl-​1H-​indole-​2-​carboxylate; Ethyl 5-​methylindole-​2-​carboxylate; NSC 30928 
 
Chemical Formula: C12H13NO2
Exact Mass: 203.09
Molecular Weight: 203.24
m/z: 203.09 (100.0%), 204.10 (13.2%), 205.10 (1.3%)
Elemental Analysis: C, 70.92; H, 6.45; N, 6.89; O, 15.74
 
InChI: InChI=1S/C12H13NO2/c1-3-15-12(14)11-7-9-6-8(2)4-5-10(9)13-11/h4-7,13H,3H2,1-2H3
InChIKey: KMVFKXFOPNKHEM-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=CC2=C(N1)C=CC(=C2)C
 
Thermal Properties Value Condition Note
Melting Point 164-165 °C Solv: methanol (67-56-1) (4)IC
Melting Point 163.0-165.5 °C   (5)IC
Melting Point 163 °C   (6)CAS
Melting Point 162 °C   (7)CAS

Specification

98%

References
  1. (1) BIORAD: Infrared spectral data from the Bio-Rad/Sadtler IR Data Collection was obtained from Bio-Rad Laboratories, Philadelphia, PA (US). Copyright © Bio-Rad Laboratories. All Rights Reserved.
  2. (2) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  3. (3) Cai, Qian; Chemical Communications (Cambridge, United Kingdom) 2009, (48), P7581-7583 CAPLUS
  4. (4) Vlad, L. A.; Izvestiya Akademii Nauk Moldavskoi SSR, Biologicheskie i Khimicheskie Nauki 1979, (6), P60-3 CAPLUS
  5. (5) Murakami, Yasuoki; Heterocycles 1984, V22(5), P1211-16 CAPLUS
  6. (6) Boon, W. R.; Journal of the Chemical Society 1949, (Suppl. Issue, No. 1), PS231 CAPLUS
  7. (7) Kruber, O.; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen 1926, V59B, P2752-60 CAPLUS
  8. (8) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
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