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CAS Number: 53330-94-2
1-(1H-indol-5-yl)ethanone

Structure

1-(1H-indol-5-yl)ethanone
Name: 1-(1H-indol-5-yl)ethanone
Synonyms:
General Information
Product Number: 53330942

CAS Registry Number 53330-94-2
Name:
Ethanone, 1-?(1H-?indol-?5-?yl)?-
Ketone, indol-5-yl methyl (6CI)
1-(1H-Indol-5-yl)ethanone
5-Acetyl-1H-indole
5-Acetylindole

 

Chemical Formula: C10H9NO
Exact Mass: 159.07
Molecular Weight: 159.18
m/z: 159.07 (100.0%), 160.07 (11.3%)

 

InChI:InChI=1S/C10H9NO/c1-7(12)8-2-3-10-9(6-8)4-5-11-10/h2-6,11H,1H3

InChI Key:GOFIUEUUROFVMA-UHFFFAOYSA-N

Canonical SMILES:CC(=O)C1=CC2=C(C=C1)NC=C2

 

Thermal Properties Value Condition Note
Melting Point 94-95 °C   (4)CAS
Melting Point 75-76 °C   (1)CAS
Melting Point 72.8-75.4 °C   (5)CAS
Melting Point 69-71 °C Solv: acetone (67-64-1); ligroine (8032-32-4) (6)CAS
Melting Point 65-66 °C Solv: hexane (110-54-3) (2)IC
Melting Point 55-57 °C   (3)IC

Specification

98%

References
  1. (1) Trost, Barry M.; Angewandte Chemie, International Edition 2007, V46(12), P2074-2077 CAPLUS
  2. (2) Akagi, Masao; Heterocycles 1987, V26(1), P61-4 CAPLUS
  3. (3) Mumladze, E. A.; Soobshcheniya Akademii Nauk Gruzinskoi SSR 1986, V124(1), P89-91 CAPLUS
  4. (4) Terent'ev, A. P.; Zhurnal Obshchei Khimii 1959, V29, P2875-81 CAPLUS
  5. (5) He, Tianxiong; Synthesis 2008, (6), P887-890 CAPLUS
  6. (6) Li, Jun; Synlett 2003, (10), P1447-1450 CAPLUS
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