4-Bromo-2,3-dimethylphenol

Base Information

• Chemical Name: 4-Bromo-2,3-dimethylphenol
• CAS No.: 22802-37-5
• Molecular Formula: C8H9BrO
• Molecular Weight: 201.063
• Hs Code.: 2908199090
• DSSTox Substance ID: DTXSID00553561
• Nikkaji Number: J1.139.241E
• Wikidata: Q82434172
• Mol file: 22802-37-5.mol

Synonyms:4-BROMO-2,3-DIMETHYLPHENOL;22802-37-5;Phenol,4-bromo-2,3-dimethyl-;MFCD07778969;4-bromo-2,3-dimethyl-phenol;SCHEMBL1765685;DTXSID00553561;MOKFDXJOXUHQNO-UHFFFAOYSA-N;AMY28014;XAA80237;4-Bromo-2 pound not3-dimethylphenol;AKOS024151907;SB74530;AS-31144;SY026366;CS-0153607;A20624

Chemical Property of 4-Bromo-2,3-dimethylphenol

Chemical Property:

• Boiling Point: 265.902 °C at 760 mmHg
• Flash Point: 114.614 °C
• PSA: 20.23000
• Density: 1.472 g/cm³
• LogP: 2.77150
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 199.98368
• Heavy Atom Count: 10
• Complexity: 116

Purity/Quality:

99%, ^*data from raw suppliers

4-Bromo-2,3-dimethylphenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1C)Br)O

Technology Process of 4-Bromo-2,3-dimethylphenol

There total 7 articles about 4-Bromo-2,3-dimethylphenol 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: 96.0%

2,3-Dimethylphenol (526-75-0) → 4-bromo-2,3-dimethylphenol (22802-37-5)

Guidance literature:

With o-xylylene bis(triethylammonium tribromide); In acetonitrile; at 20 ℃; for 0.0833333h; regioselective reaction;

DOI:10.2174/1570178615666180126153243

Reference yield: 85.0%

C28H42Br2O2P2 → 4-bromo-2,3-dimethylphenol (22802-37-5)

Guidance literature:

With chlorobis(ethylene)rhodium(I) dimer; hydrogen; In 1,4-dioxane; at 150 ℃; under 2585.81 Torr;

DOI:10.1038/s41557-018-0157-x

Reference yield: 83.0%

C29H44Br2O2P2 → 4-bromo-2,3,6-trimethylphenol (51857-41-1) + 4-bromo-2,3-dimethylphenol (22802-37-5)

Guidance literature:

With di-μ-chlorotetrakis(η2-ethylene)dirhodium(I); hydrogen; In 1,4-dioxane; at 150 ℃; for 24h; under 7757.43 Torr;

DOI:10.1021/jacs.1c13342

upstream raw materials:

2,3-Dimethylphenol

2,3-dimethylanisole

6-(2'-hydroxy-3',4'-dimethylbenzyl)-2,3-dimethylphenol

Downstream raw materials:

4-bromo-2,3-dimethylphenyl-1-acetate

1-bromo-4-methoxy-2,3-dimethylbenzene

3-bromo-6-methoxyphthalic acid

4-bromo-2-(4-decylphenyl)-7-methoxyisoindoline-1,3-dione

Refernces

• 1、 Zhu, Jun,Wang, Jianchun,Dong, Guangbin. "Catalytic activation of unstrained C(aryl)–C(aryl) bonds in 2,2′-biphenols". . p. 45 - 51. Retrieved 2018/11/23.
• 2、 -. "NEW THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM". Page/Page column 90. . Retrieved 2015/07/15.