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CAS Number: 1215-59-4
5-(benzyloxy)-1H-indole

Structure

5-(benzyloxy)-1H-indole
Name: 5-(benzyloxy)-1H-indole
Synonyms:
General Information
Product Number: 1215594

CAS Registry Number 1215-59-4
Name:
1H-?Indole, 5-?(phenylmethoxy)?-
Indole, 5-(benzyloxy)- (6CI,7CI,8CI)
5-(Benzyloxy)-1H-indole
5-(Phenylmethoxy)-1H-indole
5-(Phenylmethoxy)indole
5-Benzyloxyindole

 

Chemical Formula: C15H13NO
Exact Mass: 223.10
Molecular Weight: 223.27
m/z: 223.10 (100.0%), 224.10 (16.6%), 225.11 (1.3%)

 

InChI:InChI=1S/C15H13NO/c1-2-4-12(5-3-1)11-17-14-6-7-15-13(10-14)8-9-16-15/h1-10,16H,11H2

InChI Key:JCQLPDZCNSVBMS-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3

 

Thermal Properties Value Condition Note
Boiling Point 200-210 °C Press: 0.1 Torr (1)CAS
Melting Point 143-145 °C   (9)CAS
Melting Point 114-116 °C   (4)CAS
Melting Point 104-106 °C   (10)CAS
Melting Point 104 °C Solv: ethyl ether (60-29-7) (1)CAS
Melting Point 99-102 °C Solv: ethanol (64-17-5) (11)CAS
Melting Point 96-97 °C   (12)CAS

Specification

98%

References
  1. (1) Acheson, R. M.; Journal of the Chemical Society 1961, P744-5 CAPLUS
  2. (4) Wang, Yu-Yun; Journal of Labelled Compounds and Radiopharmaceuticals 2007, V50(14), P1262-1265 CAPLUS
  3. (9) Keglevic-Brovet, Dina; Biochemical Journal 1959, V73, P53-60 CAPLUS
  4. (10) Ek, Arvid; Journal of the American Chemical Society 1954, V76, P5579-88 CAPLUS
  5. (11) Taydakov, I. V.; Chemistry of Heterocyclic Compounds (New York, NY, United States) 2011, V47(4), P425-434 CAPLUS
  6. (12) Burton, H.; Chemistry & Industry (London, United Kingdom) 1953, P1035 CAPLUS
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