2-Benzyl-4-bromophenol

Base Information

• Chemical Name: 2-Benzyl-4-bromophenol
• CAS No.: 19578-80-4
• Molecular Formula: C13H11BrO
• Molecular Weight: 263.134
• Hs Code.: 2908199090
• DSSTox Substance ID: DTXSID60541722
• Wikidata: Q82418156
• Mol file: 19578-80-4.mol

Synonyms:2-Benzyl-4-bromophenol;19578-80-4;Phenol, 4-bromo-2-(phenylmethyl)-;2-benzyl-4-bromo-phenol;SCHEMBL1858652;DTXSID60541722;CWWDXXXNDJVDRH-UHFFFAOYSA-N;2-Benzyl-4-bromophenol, AldrichCPR;MFCD17677457;AKOS005151731;WS-01250;CS-0191222;D85630;A928746

Chemical Property of 2-Benzyl-4-bromophenol

Chemical Property:

• PSA: 20.23000
• LogP: 3.74550
• Storage Temp.: 2-8°C
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 261.99933
• Heavy Atom Count: 15
• Complexity: 189

Purity/Quality:

95% ^*data from raw suppliers

2-Benzyl-4-bromophenol 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,N
• Hazard Codes: Xi,N
• Statements: 41-51/53
• Safety Statements: 26-39-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC2=C(C=CC(=C2)Br)O

Technology Process of 2-Benzyl-4-bromophenol

There total 12 articles about 2-Benzyl-4-bromophenol 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: 95.0%

o-Benzylphenol (28994-41-4) → o-Benzyl-p-bromophenol (19578-80-4)

Guidance literature:

With tetra-N-butylammonium tribromide; In chloroform; at 20 ℃; for 3h;

DOI:10.1021/ol901999f

Reference yield: 86.0%

4-bromo-phenol (106-41-2) + benzyl bromide (100-39-0) → o-Benzyl-p-bromophenol (19578-80-4)

Guidance literature:

With sodium iodide; potassium carbonate; In diethyl ether; water; N,N-dimethyl-formamide;

Reference yield: 76.0%

p-benzyloxyphenylbromide (6793-92-6) → o-Benzyl-p-bromophenol (19578-80-4)

Guidance literature:

With trifluoroacetic acid; at 80 ℃; for 1h;

DOI:10.1016/j.tetlet.2013.06.133

upstream raw materials:

4-bromo-phenol

benzyl chloride

p-benzyloxyphenylbromide

aluminium trichloride

Downstream raw materials:

ethyl 2-(2-benzyl-4-bromophenoxy)acetate

2-benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

2-(1,1'-biphenyl-3,3'-dibenzyl-4'-[2-(dimethylamino)ethoxy]-4-oxy)acetic acid

ethyl 2-(1,1'-biphenyl-3,3'-dibenzyl-4'-ol-4-oxy)acetate

Refernces

• 1、 Chavan, Subhash P.,Lasonkar, Pradeep B.. "One-pot migration-formylation of benzyl aryl ethers under Duff reaction condition". . p. 4789 - 4792. Retrieved 2013/08/23.
• 2、 Weiser, Patrick T.,Williams, Anna B.,Hanson, Robert N.,Chang, Ching-Yi,McDonnell, Donald P.. "3,3′-Disubstituted bipolar biphenyls as inhibitors of nuclear receptor coactivator binding". . p. 6587 - 6590,4. Retrieved 2012/12/12.