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CAS Number: 21909-49-9
ethyl 2-(2-methyl-1H-indol-3-yl)acetate

Structure

ethyl 2-(2-methyl-1H-indol-3-yl)acetate
Name: ethyl 2-(2-methyl-1H-indol-3-yl)acetate
Synonyms:
General Information
Product Number: 21909499
CAS Registry Number: 21909-49-9
Name:
        1H-​Indole-​3-​acetic acid, 2-​methyl-​, ethyl ester
        Indole-​3-​acetic acid, 2-​methyl-​, ethyl ester (8CI); Ethyl 2-​methylindole-​3-​acetate; NSC 289352 
 
Chemical Formula: C13H15NO2
Exact Mass: 217.11
Molecular Weight: 217.26
m/z: 217.11 (100.0%), 218.11 (14.5%)
Elemental Analysis: C, 71.87; H, 6.96; N, 6.45; O, 14.73
 
InChI: InChI=1S/C13H15NO2/c1-3-16-13(15)8-11-9(2)14-12-7-5-4-6-10(11)12/h4-7,14H,3,8H2,1-2H3
InChIKey: SLEXJGHKKHQSDC-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)CC1=C(NC2=CC=CC=C21)C
 
Thermal Properties Value Condition Note
Boiling Point 195-196 °C Press: 3.5 Torr (1)CAS
Boiling Point 165 °C Press: 0.3 Torr (2)IC
Boiling Point 159-161 °C Press: 15 Torr (3)IC
Boiling Point 158-160 °C Press: 0.15 Torr (4)CAS
Melting Point 95 °C Solv: ethyl ether (60-29-7) (5)CAS

Specification

98%

References
  1. (1) Hoshino, Toshio; Justus Liebigs Annalen der Chemie 1935, V520, P19-30 CAPLUS
  2. (2) Vlaovic, Djordje; Monatshefte fuer Chemie 1990, V121(11), P931-9 CAPLUS
  3. (3) Gupta, Anil K. Sen; European Journal of Medicinal Chemistry 1983, V18(2), P181-4 CAPLUS
  4. (4) Bullock, Milon W.; Journal of the American Chemical Society 1951, V73, P5155-7 CAPLUS
  5. (5) Albanese, A.; Gazzetta Chimica Italiana 1930, V60, P21-6 CAPLUS
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