3-Bromo-2-methylphenol

Base Information

• Chemical Name: 3-Bromo-2-methylphenol
• CAS No.: 7766-23-6
• Molecular Formula: C7H7BrO
• Molecular Weight: 187.036
• Hs Code.: 2908199090
• European Community (EC) Number: 812-303-2
• DSSTox Substance ID: DTXSID301346648
• Nikkaji Number: J2.325.774B
• Wikidata: Q104375952
• Mol file: 7766-23-6.mol

Synonyms:3-BROMO-2-METHYLPHENOL;7766-23-6;3-Bromo-2-methyl phenol;Phenol, bromo-2-methyl-;MFCD11100990;3-bromocresol;o-Cresol, 3-bromo-;2-Methyl-3-bromphenol;2-methyl-3-bromophenol;Phenol, 3-bromo-2-methyl-;SCHEMBL165287;WPDXAMRGYMDTOV-UHFFFAOYSA-N;DTXSID301346648;AMY31748;CL8471;AKOS006307133;CS-W005698;GS-4156;MB09253;AC-28524;SY028337;FT-0704625;EN300-122827;A865177

Chemical Property of 3-Bromo-2-methylphenol

Chemical Property:

• Melting Point: 95°C
• Refractive Index: 1.5772 (estimate)
• Boiling Point: 220.79°C (rough estimate)
• PKA: 9.35±0.10(Predicted)
• PSA: 20.23000
• Density: 1.3839 (rough estimate)
• LogP: 2.46310
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 185.96803
• Heavy Atom Count: 9
• Complexity: 94.9

Purity/Quality:

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

3-Bromo-2-methylphenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC=C1Br)O

Technology Process of 3-Bromo-2-methylphenol

There total 8 articles about 3-Bromo-2-methylphenol 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: 95.5%

3-bromo-2-methylaniline (55289-36-6) → 3-bromo-2-methylphenol (7766-23-6)

Guidance literature:

With sulfuric acid; sodium nitrite; at 0 - 100 ℃; for 1.5h;

Reference yield: 78.8%

2,6-dibromotoluene (69321-60-4) → 3-bromo-2-methylphenol (7766-23-6)

Guidance literature:

2,6-dibromotoluene; With n-Butyl chloride; iodine; magnesium; In 2-methyltetrahydrofuran; for 6h; Inert atmosphere; Reflux;

at -25 ℃; for 10h; under 3750.38 Torr;

Reference yield: 49.0%

2-methylphenyl bromide (95-46-5) → 4-bromo-3-methylphenol (14472-14-1) + 2-bromo-6-methylphenol (13319-71-6) + 3-bromo-p-cresol (60710-39-6) + 2-bromo-3-methylphenol (22061-78-5) + o-bromobenzyl alcohol (18982-54-2) + 3-bromo-2-methylphenol (7766-23-6)

Guidance literature:

With wild type cytochrome P₄₅₀ CYP₁₀₂A₁(P₄₅₀Bm₃); oxygen; NADPH; Enzymatic reaction;

DOI:10.1002/cctc.201700116

upstream raw materials:

3-bromo-2-methylaniline

ortho-cresol

2-bromo-6-nitrotoluene

2-methylphenyl bromide

Downstream raw materials:

1-Bromo-3-(methoxymethoxy)-2-methylbenzene

2-bromo-4-methoxy-3-methyl-phenylamine

2-bromo-4-methoxy-3-methyl-1-nitro-benzene

3-(2-bromo-4-methoxy-3-methyl-phenylamino)-4-methoxy-benzoic acid methyl ester

Refernces

• 1、 -. "Novel biphenyl derivative as well as preparation method and medical application thereof". Paragraph 0037; 0065-0069. . Retrieved 2021/07/21.
• 2、 -. "Method for synthesizing 3 - halogen -2 -alkyl phenol". Paragraph 0048-0050. . Retrieved 2021/11/03.