2,4-Dibromo-3-isopropyl-6-methylbenzenol

Base Information

• Chemical Name: 2,4-Dibromo-3-isopropyl-6-methylbenzenol
• CAS No.: 70454-10-3
• Molecular Formula: C10H12 Br2 O
• Molecular Weight: 308.01
• Hs Code.: 2908199090
• DSSTox Substance ID: DTXSID90377339
• Nikkaji Number: J616.609A
• Wikidata: Q82166523
• Mol file: 70454-10-3.mol

Synonyms:70454-10-3;2,4-dibromo-3-isopropyl-6-methylbenzenol;2,4-dibromo-3-isopropyl-6-methylphenol;2,4-dibromo-6-methyl-3-propan-2-ylphenol;2,4-dibromo-6-methyl-3-(propan-2-yl)phenol;SCHEMBL18262844;DTXSID90377339;MFCD02571954;AKOS005070937;FT-0680520;6R-0600;A866608;J-507099

Chemical Property of 2,4-Dibromo-3-isopropyl-6-methylbenzenol

Chemical Property:

• Vapor Pressure: 0.000273mmHg at 25°C
• Boiling Point: 313.3°C at 760 mmHg
• Flash Point: 143.2°C
• PSA: 20.23000
• Density: 1.65g/cm³
• LogP: 4.34900
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 307.92344
• Heavy Atom Count: 13
• Complexity: 172

Purity/Quality:

98%min ^*data from raw suppliers

2,4-Dibromo-3-isopropyl-6-methylbenzenol >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1O)Br)C(C)C)Br

Technology Process of 2,4-Dibromo-3-isopropyl-6-methylbenzenol

There total 7 articles about 2,4-Dibromo-3-isopropyl-6-methylbenzenol 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: 78.0%

carvacrol (499-75-2) → 2,4-dibromo-3-isopropyl-6-methyl phenol (70454-10-3)

Guidance literature:

With bromine; In acetic acid; Ambient temperature;

DOI:10.1080/00304949609356526

Reference yield: 19.9%

6-acetoxy-2,4-dibromo-6-methylcyclohexa-2,4-dien-1-one (90721-59-8) + isopropylmagnesium bromide (920-39-8) → 2,4-dibromo-6-methylphenol (609-22-3) + 2,4-dibromo-3-isopropyl-6-methyl phenol (70454-10-3) + 2,4-dibromo-6-methylphenyl isopropyl ether (95717-64-9)

Guidance literature:

In diethyl ether; for 18h; Ambient temperature;

DOI:10.1021/jo00352a009

Reference yield:

carvacrol sulfonic acid → 2,4-dibromo-3-isopropyl-6-methyl phenol (70454-10-3)

Guidance literature:

With water; bromine;

DOI:10.1557/JMR.2000.0182

upstream raw materials:

carvacrol

6-acetoxy-2,4-dibromo-6-methylcyclohexa-2,4-dien-1-one

isopropylmagnesium bromide

diisopropylmagnesium

Downstream raw materials:

2-isopropyl-4-hydroxy-5-methyl resorcinol dimethyl ether

2-methyl-5-isopropyl-4-bromophenol

2-bromo-3-isopropyl-1-methoxy-6-methylbenzene

2-iodo-3-isopropyl-1-methoxy-6-methylbenzene

Refernces

• 1、 Soederberg, Bjoern C.,Fields, Shari L.. "Expedient syntheses of espintanol, p-methoxycarvacrol and thymoquinol dimethyl ether". . p. 221 - 225. Retrieved 2007/10/03.
• 2、 Miller, Bernard,Haggerty, John G.. "Effects of Halogen Substiution on Reactions of o-Quinol Acetates with Isopropylmagnesium Bromide and Diisopropylmagnesium. Competition between Unimolecular Decomposition and Bimolecular Reactions of Radical Anions". . p. 174 - 179. Retrieved 2007/10/02.