alpha,3,5-Tribromo-2-hydroxytoluene

Base Information

• Chemical Name: alpha,3,5-Tribromo-2-hydroxytoluene
• CAS No.: 4186-54-3
• Molecular Formula: C7H5Br3O
• Molecular Weight: 344.828
• Hs Code.: 2908199090
• European Community (EC) Number: 678-382-9
• DSSTox Substance ID: DTXSID30347495
• Nikkaji Number: J149.843F
• Wikidata: Q82121470
• Mol file: 4186-54-3.mol

Synonyms:2,4-Dibromo-6-(bromomethyl)phenol;alpha,3,5-Tribromo-2-hydroxytoluene;4186-54-3;phenol, 2,4-dibromo-6-(bromomethyl)-;a,3,5-Tribromo-2-hydroxytoluene;3,5-Dibromo-2-hydroxybenzyl Bromide;2-Hydroxy-3,5-dibrombenzylbromid;a,4,6-Tribromo-o-cresol;alpha,4,6-Tribromo-o-cresol;SCHEMBL2919093;2-bromomethyl-4,6-dibromophenol;2,4-Dibromo-6-bromomethylphenol;4,6-Dibromo-2-bromomethylphenol;DTXSID30347495;2-(bromomethyl)-4,6-dibromophenol;MFCD00059612;AKOS025295312;AS-61396;CS-0452311;D0172;FT-0635176;TOLUENE,2-HYDROXY,ALPHA,3,5-TRIBROMO;D89607;A872992

Chemical Property of alpha,3,5-Tribromo-2-hydroxytoluene

Chemical Property:

• Melting Point: 118oC
• Boiling Point: 330.6oC at 760 mmHg
• Flash Point: 153.7oC
• PSA: 20.23000
• Density: 2.303g/cm3
• LogP: 3.81210
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 343.78700
• Heavy Atom Count: 11
• Complexity: 131

Purity/Quality:

98%,99%, ^*data from raw suppliers

alpha,3,5-Tribromo-2-hydroxytoluene ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1CBr)O)Br)Br

Technology Process of alpha,3,5-Tribromo-2-hydroxytoluene

There total 10 articles about alpha,3,5-Tribromo-2-hydroxytoluene 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: 84.0%

2-hydroxy-3,5-dibromobenzenemethanol (2183-54-2) → 2-(bromomethyl)-4,6-dibromophenol (4186-54-3)

Guidance literature:

With sulfuric acid; hydrogen bromide; In acetic acid; at 80 ℃;

DOI:10.1002/anie.201007678

Reference yield: 76.0%

ortho-cresol (95-48-7,77504-84-8) → 2-(bromomethyl)-4,6-dibromophenol (4186-54-3)

Guidance literature:

With bromine; In tetrachloromethane; for 8h; Irradiation;

Reference yield: 50.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 2,4-dibromophenol (615-58-7) → 2-(bromomethyl)-4,6-dibromophenol (4186-54-3)

Guidance literature:

With hydrogen bromide; In acetic acid; at 70 ℃; for 12h;

DOI:10.1039/c2cc31716h

upstream raw materials:

salicylic alcohol

4-Bromo-2-methylphenol

2,4-dibromo-6-methylphenol

ortho-cresol

Downstream raw materials:

2,4-dibromo-6-piperidin-1-ylmethyl-phenol

2,4-dibromo-6-methoxymethyl-phenol

4,6-dibromo-2',6'-dichloro-2,4'-methanediyl-di-phenol

4,6-dibromo-4'-chloro-2,2'-methanediyl-di-phenol

Refernces

• 1、 Gu, Xin,Zhang, Yan,Xu, Zhen-Jiang,Che, Chi-Ming. "Iron(iii)-salan complexes catalysed highly enantioselective fluorination and hydroxylation of β-keto esters and N-Boc oxindoles". . p. 7870 - 7873. Retrieved 2014/07/08.
• 2、 Press, Konstantin,Cohen, Ad,Goldberg, Israel,Venditto, Vincenzo,Mazzeo, Mina,Kol, Moshe. "Salalen titanium complexes in the highly isospecific polymerization of 1-hexene and propylene". . p. 3529 - 3532. Retrieved 2011/05/04.