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CAS Number: 348-36-7
ethyl 5-fluoro-1H-indole-2-carboxylate

Structure

ethyl 5-fluoro-1H-indole-2-carboxylate
Name: ethyl 5-fluoro-1H-indole-2-carboxylate
Synonyms:
General Information
Product Number: 348367
CAS Registry Number: 348-36-7
Name:
        1H-​Indole-​2-​carboxylic acid, 5-​fluoro-​, ethyl ester
        Indole-​2-​carboxylic acid, 5-​fluoro-​, ethyl ester (8CI); 5-​Fluoro-​1H-​indole-​2-​carboxylic acid ethyl ester; 5-​Fluoroindole-​2-​carboxylic acid ethyl ester; Ethyl 5-​fluoro-​1H-​indole-​2-​carboxylate; Ethyl 5-​fluoroindole-​2-​carboxylate 
 
Chemical Formula: C11H10FNO2
Exact Mass: 207.07
Molecular Weight: 207.20
m/z: 207.07 (100.0%), 208.07 (12.3%)
Elemental Analysis: C, 63.76; H, 4.86; F, 9.17; N, 6.76; O, 15.44
 
InChI: InChI=1S/C11H10FNO2/c1-2-15-11(14)10-6-7-5-8(12)3-4-9(7)13-10/h3-6,13H,2H2,1H3
InChIKey: VIKOQTQMWBKMNA-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=CC2=C(N1)C=CC(=C2)F
 
Thermal Properties Value Condition Note
Melting Point 158-160 °C   (2)CAS
Melting Point 148 °C   (4)CAS
Melting Point 147-148 °C   (1)CAS
Melting Point 115 °C Solv: ethanol (64-17-5) (3)CAS

Specification

98%

References
  1. (1) Koenig, Stefan G.; Tetrahedron Letters 2010, V51(50), P6549-6551 CAPLUS
  2. (2) Sudhakara, A.; Synthetic Communications 2009, V39(14), P2506-2515 CAPLUS
  3. (3) Zhang, Fan; European Journal of Medicinal Chemistry 2011, V46(7), P3149-3157 CAPLUS
  4. (4) Allen, F. L.; Journal of the Chemical Society 1955, P1283-6 CAPLUS
  5. (5) Yoshikawa, Kenji; Bioorganic & Medicinal Chemistry 2009, V17(24), P8206-8220 CAPLUS
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