1-(4-(Benzyloxy)phenyl)-2-bromoethanone

Base Information

• Chemical Name: 1-(4-(Benzyloxy)phenyl)-2-bromoethanone
• CAS No.: 4254-67-5
• Molecular Formula: C15H13BrO2
• Molecular Weight: 305.171
• European Community (EC) Number: 824-733-8
• DSSTox Substance ID: DTXSID40441559
• Nikkaji Number: J32.014E
• Wikidata: Q82258352
• Mol file: 4254-67-5.mol

Synonyms:1-(4-(Benzyloxy)phenyl)-2-bromoethanone;4254-67-5;4-(Benzyloxy)-phenacyl bromide;2-bromo-1-(4-phenylmethoxyphenyl)ethanone;1-[4-(benzyloxy)phenyl]-2-bromoethan-1-one;4-benzyloxyphenacyl bromide;1-[4-(benzyloxy)phenyl]-2-bromoethanone;1-(4-(benzyloxy)phenyl)-2-bromoethan-1-one;4-(Benzyloxy)-phenacylbromide;1-(Benzyloxy)-4-(bromoacetyl)benzene;4-benzyloxyphenacylbromide;SCHEMBL41220;2-bromo-p-benzyloxyacetophenone;2-bromo-4'-benyloxyacetophenone;1-Benzyloxy-4-bromoacetylbenzene;2-bromo-4'-benzyloxyacetophenone;4'-benzyloxy-2-bromoacetophenone;DTXSID40441559;IAPCKPXQFYWNDN-UHFFFAOYSA-N;p-benzyloxy-alpha-bromoacetophenone;MFCD07367994;STL279751;AKOS000210355;1-(4-benzyloxyphenyl)-2-bromoethanone;AB31551;CS-W021226;DS-4076;1-(4-benzyloxyphenyl)-2-bromo-ethanone;1-(4-benzyloxy-phenyl)-2-bromo-ethanone;2-bromo-1-(4-benzyloxy-phenyl)-ethanone;AC-14430;AM803893;FT-0601841;EN300-71911;W10405;A825937

Chemical Property of 1-(4-(Benzyloxy)phenyl)-2-bromoethanone

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 91 °C
• Refractive Index: 1.603
• Boiling Point: 419.498 °C at 760 mmHg
• Flash Point: 207.505 °C
• PSA: 26.30000
• Density: 1.394 g/cm³
• LogP: 3.84320
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 304.00989
• Heavy Atom Count: 18
• Complexity: 253

Purity/Quality:

99% ^*data from raw suppliers

1-(4-(Benzyloxy)phenyl)-2-bromoethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)CBr

Technology Process of 1-(4-(Benzyloxy)phenyl)-2-bromoethanone

There total 22 articles about 1-(4-(Benzyloxy)phenyl)-2-bromoethanone 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: 98.0%

4'-benzyloxy-acetophenone (54696-05-8) → 2-bromo-1-(4-benzyloxyphenyl)-1-ethanone (4254-67-5)

Guidance literature:

With bromine; In ethanol; at 20 ℃; for 0.416667h; Inert atmosphere;

DOI:10.1021/acs.jafc.9b01968

Reference yield: 83.0%

[4-(benzyloxy)phenyl]acetylene (84284-70-8) → 2-bromo-1-(4-benzyloxyphenyl)-1-ethanone (4254-67-5)

Guidance literature:

With N,N'-ethylenethiourea; 1,3-dibromo-5,5-dimethylhydantoin; water; In acetone; at 45 ℃;

DOI:10.1039/c7gc00283a

Reference yield: 71.0%

4'-benzyloxy-acetophenone (54696-05-8) → 2-bromo-1-(4-benzyloxyphenyl)-1-ethanone (4254-67-5) + 2,2-dibromo-1-[(4-benzyloxy)]phenylethanone

Guidance literature:

With copper(ll) bromide; In chloroform; ethyl acetate; for 5h; Reflux;

DOI:10.1002/cmdc.201000120

upstream raw materials:

4'-benzyloxy-acetophenone

benzyl chloride

4-Hydroxyacetophenone

copper(II)bromide

Downstream raw materials:

DL-1-(4-benzyloxyphenyl)-2-[2-(4-formamidophenoxy)ethylamino]ethanol

4-{2-[2-Hydroxy-2-(4-hydroxy-phenyl)-ethylamino]-ethoxy}-benzamide

2-[4-(2-{Benzyl-[2-(4-benzyloxy-phenyl)-2-hydroxy-ethyl]-amino}-ethoxy)-phenyl]-acetamide

N-(2-{2-[2-Hydroxy-2-(4-hydroxy-phenyl)-ethylamino]-ethoxy}-phenyl)-acetamide

Refernces

• 1、 Wu, Yunkou,Soesbe, Todd C.,Kiefer, Garry E.,Zhao, Piyu,Sherry, A. Dean. "A responsive europium(III) chelate that provides a direct readout of pH by MRI". . p. 14002 - 14003. Retrieved 2010.
• 2、 Li, Han,Wenger, Oliver S.. "Photophysics of Perylene Diimide Dianions and Their Application in Photoredox Catalysis". . . Retrieved 2021/12/23.
• 3、 Morikawa, Daiki,Morii, Kazuki,Yasuda, Yuto,Mori, Atsunori,Okano, Kentaro. "Convergent Total Synthesis of Lamellarins and Their Congeners". . p. 8603 - 8617. Retrieved 2020/07/16.