1-[4-(Acetyloxy)phenyl]-3-bromo-2-propanone

Base Information

Chemical Name:1-[4-(Acetyloxy)phenyl]-3-bromo-2-propanone
CAS No.:56071-69-3
Molecular Formula:C11H11BrO3
Molecular Weight:271.111
Hs Code.:
DSSTox Substance ID:DTXSID80376295
Wikidata:Q82165199
Mol file:56071-69-3.mol

Synonyms:1-[4-(ACETYLOXY)PHENYL]-3-BROMO-2-PROPANONE;56071-69-3;[4-(3-bromo-2-oxopropyl)phenyl] acetate;SCHEMBL8308364;DTXSID80376295;FT-0607134

Suppliers and Price of 1-[4-(Acetyloxy)phenyl]-3-bromo-2-propanone

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
1-[4-(ACETYLOXY)PHENYL]-3-BROMO-2-PROPANONE 95.00%
5MG
$ 495.57

Total 5 raw suppliers

Chemical Property of 1-[4-(Acetyloxy)phenyl]-3-bromo-2-propanone

Chemical Property:

Vapor Pressure:3.79E-05mmHg at 25°C
Refractive Index:1.55
Boiling Point:352.6 °C at 760 mmHg
Flash Point:167.1 °C
PSA：43.37000
Density:1.452 g/cm³
LogP:2.11840
XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:269.98916
Heavy Atom Count:15
Complexity:232

Purity/Quality:

99% ^*data from raw suppliers

1-[4-(ACETYLOXY)PHENYL]-3-BROMO-2-PROPANONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)OC1=CC=C(C=C1)CC(=O)CBr

Technology Process of 1-[4-(Acetyloxy)phenyl]-3-bromo-2-propanone

There total 6 articles about 1-[4-(Acetyloxy)phenyl]-3-bromo-2-propanone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 61.0%

: 22118-09-8
2-bromoacetyl chloride

: 485394-97-6
C₈H₇ClO₂Zn

: 39720-27-9
4-acetoxybenzyl chloride

: 106-93-4
ethylene dibromide

: 7440-66-6
zinc

: 56071-69-3
acetic acid 4-(3-bromo-2-oxo-propyl)phenyl ester

Guidance literature:: ethylene dibromide; zinc; With lithium chloride; In tetrahydrofuran; Heating;

4-acetoxybenzyl chloride; In tetrahydrofuran; Heating;

2-bromoacetyl chloride; C₈H₇ClO₂Zn; With copper(I) cyanide lithium chloride; In tetrahydrofuran; at -80 - 25 ℃; Inert atmosphere;
DOI:10.1021/ol901275n

Reference yield:

: 52727-20-5
4-(3-Diazo-2-oxo-propyl)phenyl acetate

: 56071-69-3
acetic acid 4-(3-bromo-2-oxo-propyl)phenyl ester

Guidance literature:: With hydrogen bromide; at 0 ℃; for 0.5h; Yield given;
DOI:10.1039/a607460j

Reference yield:

: 156-38-7
4-hydroxyphenylacetate

: 56071-69-3
acetic acid 4-(3-bromo-2-oxo-propyl)phenyl ester

Guidance literature:: Multi-step reaction with 4 steps

1: 84 percent / NaOAc / 2 h / Heating

2: SOCl₂ / 12 h / Ambient temperature

3: diethyl ether / 1.5 h / 0 °C

4: HBr / 0.5 h / 0 °C

With thionyl chloride; hydrogen bromide; sodium acetate; In diethyl ether;
DOI:10.1039/a607460j