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CAS Number: 51490-01-8
2-bromo-1-(3,4,5-trimethoxyphenyl)ethanone

Structure

 2-bromo-1-(3,4,5-trimethoxyphenyl)ethanone
Name: 2-bromo-1-(3,4,5-trimethoxyphenyl)ethanone
Synonyms:
General Information
Product Number: 51490018

CAS Registry Number 51490-01-8
Name:
Ethanone, 2-?bromo-?1-?(3,?4,?5-?trimethoxyphenyl)?-
2-Bromo-1-(3,4,5-trimethoxyphenyl)ethanone
2-Bromo-3',4',5'-trimethoxyacetophenone
3,4,5-Trimethoxy-α-bromoacetophenone
3,4,5-Trimethoxyphenacyl bromide
Bromomethyl 3,4,5-trimethoxyphenyl ketone

 

Chemical Formula: C11H13BrO4
Exact Mass: 288.00
Molecular Weight: 289.12
m/z: 288.00 (100.0%), 290.00 (98.1%), 289.00 (12.0%), 291.00 (11.9%), 292.00 (1.4%)

 

InChI:InChI=1S/C11H13BrO4/c1-14-9-4-7(8(13)6-12)5-10(15-2)11(9)16-3/h4-5H,6H2,1-3H3

InChI Key:CIYTXNZZTOVXKY-UHFFFAOYSA-N

Canonical SMILES:COC1=CC(=CC(=C1OC)OC)C(=O)CBr

 

Thermal Properties Value Condition Note
Melting Point 67-68 °C   (2)CAS
Melting Point 64-66 °C   (1)CAS
Melting Point 64 °C   (3)CAS
Melting Point 63-67 °C Solv: ethanol (64-17-5) (4)CAS

Specification

98%
References
  1. (1) Ducki, Sylvie; Bioorganic & Medicinal Chemistry 2009, V17(22), P7698-7710 CAPLUS
  2. (2) Lawrence, Nicholas J.; Bioorganic & Medicinal Chemistry Letters 2006, V16(22), P5844-5848 CAPLUS
  3. (3) Hayashi, Kozo; Acta Phytochimica 1934, V8, P65-105 CAPLUS
  4. (4) Horton, W. J.; Journal of the American Chemical Society 1954, V76, P1909-11 CAPLUS
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