2-Bromo-1-(4-phenoxyphenyl)ethanone

Base Information

• Chemical Name: 2-Bromo-1-(4-phenoxyphenyl)ethanone
• CAS No.: 28179-33-1
• Molecular Formula: C14H11 Br O2
• Molecular Weight: 291.144
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID60564178
• Nikkaji Number: J2.890.378B
• Wikidata: Q82448783
• Mol file: 28179-33-1.mol

Synonyms:2-bromo-1-(4-phenoxyphenyl)ethanone;28179-33-1;2-Bromo-1-(4-phenoxyphenyl)ethan-1-one;MFCD01419855;Ethanone, 2-bromo-1-(4-phenoxyphenyl)-;2-bromo-4'-phenoxyacetophenone;4'-phenoxy-2-bromoacetophenone;SCHEMBL1350830;DTXSID60564178;RAXTYMXDSNWNJS-UHFFFAOYSA-N;AKOS003625890;MS-22391;SY358334;A936922

Chemical Property of 2-Bromo-1-(4-phenoxyphenyl)ethanone

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 49 °C
• Boiling Point: 378.2°Cat760mmHg
• Flash Point: 182.5°C
• PSA: 26.30000
• Density: 1.422g/cm³
• LogP: 4.05650
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 289.99424
• Heavy Atom Count: 17
• Complexity: 241

Purity/Quality:

98%Min ^*data from raw suppliers

4-Phenoxyphenacyl bromide 95% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)CBr

Technology Process of 2-Bromo-1-(4-phenoxyphenyl)ethanone

There total 6 articles about 2-Bromo-1-(4-phenoxyphenyl)ethanone 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: 100.0%

→ 4-(phenoxy)phenacyl bromide (28179-33-1)

Guidance literature:

Reference yield: 97.4%

diphenylether (101-84-8) + 2-Bromoacetyl bromide (598-21-0) → 4-(phenoxy)phenacyl bromide (28179-33-1)

Guidance literature:

With aluminum (III) chloride; In dichloromethane; at 0 - 20 ℃; for 2.5h;

DOI:10.1039/c3md00079f

Reference yield: 69.0%

4-phenoxyacetophenone (5031-78-7) → 4-(phenoxy)phenacyl bromide (28179-33-1)

Guidance literature:

With phenyltrimethylammonium tribromide; In tetrahydrofuran; at 20 ℃; for 22h; Reflux;

upstream raw materials:

4-phenoxyacetophenone

diphenylether

2-Bromoacetyl bromide

phenol

Downstream raw materials:

1-(4-phenoxy-phenyl)-2-piperidin-1-yl-ethanone

1-(4-phenoxy-phenacyl)-pyridinium; bromide

2-(4-phenoxy-phenyl)-indolizine

Refernces

• 1、 Li, Xiangqian,Xu, Qi,Li, Chao,Luo, Jiao,Li, Xiuxue,Wang, Lijun,Jiang, Bo,Shi, Dayong. "Toward a treatment of diabesity: In vitro and in vivo evaluation of uncharged bromophenol derivatives as a new series of PTP1B inhibitors". supporting information. p. 178 - 185. Retrieved 2019/02/05.
• 2、 Li, Xiang-Qian,Xu, Qi,Luo, Jiao,Wang, Li-Jun,Jiang, Bo,Zhang, Ren-Shuai,Shi, Da-Yong. "Design, synthesis and biological evaluation of uncharged catechol derivatives as selective inhibitors of PTP1B". . p. 348 - 359. Retrieved 2017/05/17.