2-Bromo-4,6-di-tert-butylphenol

Base Information

• Chemical Name: 2-Bromo-4,6-di-tert-butylphenol
• CAS No.: 20834-61-1
• Molecular Formula: C14H21 Br O
• Molecular Weight: 285.224
• Hs Code.: 2908199090
• European Community (EC) Number: 606-649-1
• DSSTox Substance ID: DTXSID00334155
• Nikkaji Number: J843.687H
• Wikidata: Q65653978
• Mol file: 20834-61-1.mol

Synonyms:2-Bromo-4,6-di-tert-butylphenol;20834-61-1;Phenol, 2-bromo-4,6-bis(1,1-dimethylethyl)-;2-bromo-4,6-ditert-butylphenol;2-Bromo-4,6-di-t-butylphenol;2,4-Bis(tert-butyl)-6-bromophenol;2,4-di-tert-butyl-6-bromophenol;2-bromo-4,6-di-tert-butyl-phenol;2-bromo-4,6-di(tert-butyl)phenol;Phenol,2-bromo-4,6-bis(1,1-dimethylethyl)-;SCHEMBL3073021;4,6-di-t-butyl-2-bromophenol;6-bromo-2,4-di-t-butylphenol;2-bromo4,6-di-tert-butylphenol;DTXSID00334155;2-bromo-4, 6-di-tert-butylphenol;2-bromo-4,6-di- tert-butylphenol;2-bromo-4,6-di-tert.butyl-phenol;2,4-Bis(tert-butyl)-6-bromopheno;MFCD00051597;AKOS004114612;NCGC00338280-01;PS-11191;CS-0206470;FT-0611439;EN300-62308;N11751;AB01330664-02;A879402;Q65653978;Z979487556

Chemical Property of 2-Bromo-4,6-di-tert-butylphenol

Chemical Property:

• Vapor Pressure: 0.00429mmHg at 25°C
• Melting Point: 56oC
• Boiling Point: 269.8°C at 760 mmHg
• PKA: 10.04±0.23(Predicted)
• Flash Point: 117°C
• PSA: 20.23000
• Density: 1.201g/cm³
• LogP: 4.74970
• Storage Temp.: 2-8°C
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 284.07758
• Heavy Atom Count: 16
• Complexity: 236

Purity/Quality:

97% ^*data from raw suppliers

2-Bromo-4,6-di-tert-butylphenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC(=C(C(=C1)Br)O)C(C)(C)C
• Uses: It is used in pharmaceutical intermediates and as medicine. When 2-Bromo-4,6-di-tert-butylphenol was treated with potassium ferricyanide in benzene 1,4-dihydro-4-bromo-2,4,6,8-tetra-tert-butyl-1-oxodibenzofuran was yielded with a small amount of 2,4,6,8-tetra-tert-butyldibenzofuran.

Technology Process of 2-Bromo-4,6-di-tert-butylphenol

There total 6 articles about 2-Bromo-4,6-di-tert-butylphenol 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%

2,4-di-tert-Butylphenol (96-76-4) → 2-bromo-4,6-di-tert-butylphenol (20834-61-1)

Guidance literature:

With bromine; In dichloromethane; for 1.5h; Inert atmosphere;

DOI:10.1039/d1cc03418a

Reference yield: 20.0%

2,4,6-tri-tert-butylphenoxol (732-26-3) → 2-bromo-4,6-di-tert-butylphenol (20834-61-1)

Guidance literature:

With N-Bromosuccinimide; for 0.166667h;

DOI:10.1007/BF01431636

Reference yield:

4-bromo-2,4,6-tri-tert-butyl-2,5-cyclohexadiene-1-one (1988-75-6) → 2,4,6-tri-tert-butylphenoxol (732-26-3) + 2-bromo-4,6-di-tert-butylphenol (20834-61-1)

Guidance literature:

at 20 ℃; Product distribution; dependence of the critical explosion pressure;

DOI:10.1007/BF00953715

upstream raw materials:

2,4-di-tert-Butylphenol

2,4,6-tri-tert-butylphenoxol

4-bromo-2,4,6-tri-tert-butyl-2,5-cyclohexadiene-1-one

Downstream raw materials:

2-Brom-6-tert.-butyl-1,4-benzochinon

(2,4-di-tert-butylphenoxy)trimethylsilane

4,6-di-tert-butyl-2-diphenylphosphinophenyl trimethylsilyl ether

(2-diphenylphosphanyl-4,6-di(tert-butyl))phenol