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CAS Number: 50614-84-1
ethyl 1H-indole-4-carboxylate

Structure

ethyl 1H-indole-4-carboxylate
Name: ethyl 1H-indole-4-carboxylate
Synonyms:
General Information
Product Number: 50614841
CAS Registry Number: 50614-84-1
Name:
1H-​Indole-​4-​carboxylic acid, ethyl ester
Ethyl 4-​indolecarboxylate 
 
Chemical Formula: C11H11NO2
Exact Mass: 189.08
Molecular Weight: 189.21
m/z: 189.08 (100.0%), 190.08 (12.3%)
Elemental Analysis: C, 69.83; H, 5.86; N, 7.40; O, 16.91
 
InChI: InChI=1S/C11H11NO2/c1-2-14-11(13)9-4-3-5-10-8(9)6-7-12-10/h3-7,12H,2H2,1H3
InChIKey: ZIUDZKABRXGZFO-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=C2C=CNC2=CC=C1
 
Thermal Properties Value Condition Note
Melting Point 73-74 °C   (4)IC
Melting Point 72-73 °C   (5)IC
Melting Point 72-73 °C Solv: hexane (110-54-3) (3)IC
Melting Point 70-71 °C   (6)CAS

Specification

98%

References
  1. (1) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
  2. (2) Miranda, Sonia; Open Organic Chemistry Journal 2007, V1, P1-12 CAPLUS
  3. (3) Sakamoto, Takao; Chemical & Pharmaceutical Bulletin 1986, V34(6), P2362-8 CAPLUS
  4. (4) Ponticello, Gerald S.; Journal of Organic Chemistry 1979, V44(22), P4003-5 CAPLUS
  5. (5) Sakamoto, Takao; Heterocycles 1984, V22(6), P1347-50 CAPLUS
  6. (6) Hardegger, E.; Helvetica Chimica Acta 1954, V37, P1826-7 CAPLUS
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