4-Bromo-5-isopropyl-2-methylbenzenol

Base Information

• Chemical Name: 4-Bromo-5-isopropyl-2-methylbenzenol
• CAS No.: 121665-99-4
• Molecular Formula: C10H13 Br O
• Molecular Weight: 229.117
• Hs Code.: 2906299090
• DSSTox Substance ID: DTXSID00377340
• Wikidata: Q82166524
• Mol file: 121665-99-4.mol

Synonyms:121665-99-4;4-bromo-5-isopropyl-2-methylbenzenol;4-bromo-5-isopropyl-2-methylphenol;4-bromo-2-methyl-5-propan-2-ylphenol;4-bromo-2-methyl-5-(propan-2-yl)phenol;bromoisopropylmethylbenzenol;SCHEMBL6643213;DTXSID00377340;YDZJYFWYHBUUKA-UHFFFAOYSA-N;MFCD03791230;AKOS005070805;CS-0338624;FT-0680522;10.14272/YDZJYFWYHBUUKA-UHFFFAOYSA-N.1;6R-0636;doi:10.14272/YDZJYFWYHBUUKA-UHFFFAOYSA-N.1;J-514765

Chemical Property of 4-Bromo-5-isopropyl-2-methylbenzenol

Chemical Property:

• Vapor Pressure: 0.00113mmHg at 25°C
• Melting Point: 28-31°C
• Boiling Point: 291.2°Cat760mmHg
• Flash Point: 129.9°C
• PSA: 20.23000
• Density: 1.344g/cm³
• LogP: 3.58650
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 228.01498
• Heavy Atom Count: 12
• Complexity: 147

Purity/Quality:

98%min ^*data from raw suppliers

4-Bromo-5-isopropyl-2-methylbenzenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Bromo-5-isopropyl-2-methylbenzenol

There total 5 articles about 4-Bromo-5-isopropyl-2-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: 97.0%

Carvone (99-49-0,22327-39-5) → 2-methyl-5-isopropyl-4-bromophenol (121665-99-4)

Guidance literature:

With oxygen; copper diacetate; trifluoroacetic acid; lithium bromide; In acetonitrile; at 80 ℃; for 10h; under 760.051 Torr; Sealed tube;

DOI:10.1002/ejoc.201400158

Reference yield: 80.0%

2,4-dibromo-3-isopropyl-6-methyl phenol (70454-10-3) → 2-methyl-5-isopropyl-4-bromophenol (121665-99-4)

Guidance literature:

With bromine; In acetic acid; for 3h; Ambient temperature;

DOI:10.1080/00304949609356526

Reference yield:

(R)-5-isopropyl-2-methylcyclohex-2-enone (33375-08-5) → 2-methyl-5-isopropyl-4-bromophenol (121665-99-4) + (+)-(2R,3R,5S,6S)-2,3,6-tribromo-5-isopropyl-2-methylcyclohexanone (43205-83-0,121703-06-8) + (-)-(2R,3S,5S,6S)-2,3,6-tribromo-5-isopropyl-2-methylcyclohexanone (43205-83-0,121703-06-8)

Guidance literature:

With bromine; In acetic acid; for 12h;

upstream raw materials:

(R)-5-isopropyl-2-methylcyclohex-2-enone

2,4-dibromo-3-isopropyl-6-methyl phenol

carvacrol

acetic acid

Downstream raw materials:

2-isopropyl-4-methoxy-5-methylbenzaldehyde

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.