2-(4-Bromophenyl)propan-2-ol

Base Information

• Chemical Name: 2-(4-Bromophenyl)propan-2-ol
• CAS No.: 2077-19-2
• Molecular Formula: C9H11BrO
• Molecular Weight: 215.09
• Hs Code.: 2906299090
• European Community (EC) Number: 816-112-5
• DSSTox Substance ID: DTXSID50506744
• Nikkaji Number: J1.675.723C
• Wikidata: Q72511185
• Mol file: 2077-19-2.mol

Synonyms:2-(4-bromophenyl)propan-2-ol;2077-19-2;2-(4-Bromophenyl)-2-propanol;Benzenemethanol, 4-bromo-alpha,alpha-dimethyl-;MFCD11870096;SCHEMBL155856;2-(4-Bromophenyl)propan-2-o1;2-(4-bromophenyl)-propan-2-ol;DTXSID50506744;2-(4-Bromo-phenyl)propan-2-ol;AOGYBHJTXLXRSM-UHFFFAOYSA-N;2-(4-bromo-phenyl)-propan-2-ol;AKOS009996695;CS-W006560;AM808040;AS-35678;p-bromo-alpha,alpha-dimethylbenzyl alcohol;SY036029;4-Bromo-alpha,alpha-dimethylbenzyl Alcohol;B5274;FT-0696386;EN300-72228;A848493;Z449374220

Chemical Property of 2-(4-Bromophenyl)propan-2-ol

Chemical Property:

• Melting Point: 45.6℃
• Refractive Index: 1.5520
• Boiling Point: 281.535 °C at 760 mmHg
• PKA: 14.29±0.29(Predicted)
• Flash Point: 124.068 °C
• PSA: 20.23000
• Density: 1.403 g/cm³
• LogP: 2.67650
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Slightly soluble in water (1.4 g/L) (25°C)
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 213.99933
• Heavy Atom Count: 11
• Complexity: 126

Purity/Quality:

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

2-(4-Bromophenyl)-2-propanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C1=CC=C(C=C1)Br)O
• Uses: It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuffs. It is a medicine intermediate.

Technology Process of 2-(4-Bromophenyl)propan-2-ol

There total 22 articles about 2-(4-Bromophenyl)propan-2-ol 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: 99.0%

Ethyl 4-bromobenzoate (5798-75-4) + methylmagnesium bromide (75-16-1) → 2-(4-bromophenyl)propan-2-ol (2077-19-2)

Guidance literature:

Ethyl 4-bromobenzoate; methylmagnesium bromide; In tetrahydrofuran; toluene; at -40 - 0 ℃;

With water; ammonium chloride; In tetrahydrofuran; toluene;

Reference yield: 95.0%

1.4-dibromobenzene (106-37-6) + acetone (67-64-1) → 2-(4-bromophenyl)propan-2-ol (2077-19-2)

Guidance literature:

1.4-dibromobenzene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃;

acetone; In tetrahydrofuran; hexane; at -78 - 0 ℃;

With water; ammonium chloride; In tetrahydrofuran; hexane; at 0 ℃;

Reference yield: 91.0%

methylmagnesium bromide (75-16-1) + para-bromoacetophenone (99-90-1) → 2-(4-bromophenyl)propan-2-ol (2077-19-2)

Guidance literature:

In tetrahydrofuran; benzene; at 0 ℃; for 0.166667h;

DOI:10.1021/jm00017a021

upstream raw materials:

Ethyl 4-bromobenzoate

(4-bromophenyl)magnesium bromide

acetone

methylmagnesium bromide

Downstream raw materials:

tert-butyl p-bromo-α,α-dimethylbenzyl peroxide

4-bromo-α-methylstyrene

2,4-di(4'-bromophenyl)-4-methyl-pent-1-en

1-bromo-4-(1-fluoro-1-methylethyl)benzene

Refernces

• 1、 Hu, Deqing,Jiang, Xuefeng. "Stepwise benzylic oxygenation via uranyl-photocatalysis". supporting information. p. 124 - 129. Retrieved 2022/01/19.
• 2、 Ottenbacher, Roman V.,Bryliakova, Anna A.,Shashkov, Mikhail V.,Talsi, Evgenii P.,Bryliakov, Konstantin P.. "To Rebound or...Rebound? Evidence for the "alternative Rebound" mechanism in Ca'H Oxidations by the systems nonheme Mn Complex/H2O2/carboxylic acid". . p. 5517 - 5524. Retrieved 2021/05/31.