(1,3-Dibromopropan-2-yl)benzene

Base Information

• Chemical Name: (1,3-Dibromopropan-2-yl)benzene
• CAS No.: 85291-68-5
• Molecular Formula: C9H10Br2
• Molecular Weight: 277.986
• European Community (EC) Number: 870-722-6
• DSSTox Substance ID: DTXSID00574711
• Nikkaji Number: J1.990.794E
• Wikidata: Q82463854
• Mol file: 85291-68-5.mol

Synonyms:(1,3-Dibromopropan-2-yl)benzene;85291-68-5;1,3-dibromopropan-2-ylbenzene;Benzene, [2-bromo-1-(bromomethyl)ethyl]-;2-phenyl-1,3-dibromopropane;SCHEMBL9452584;DTXSID00574711;AKOS017518966;CS-0263131;EN300-85262;G47323

Chemical Property of (1,3-Dibromopropan-2-yl)benzene

Chemical Property:

• PSA: 0.00000
• LogP: 3.56000
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 277.91288
• Heavy Atom Count: 11
• Complexity: 93.7

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(CBr)CBr

Technology Process of (1,3-Dibromopropan-2-yl)benzene

There total 3 articles about (1,3-Dibromopropan-2-yl)benzene 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: 81.0%

2-phenylpropane-1, 3-diol (1570-95-2) → (1,3-dibromopropan-2-yl)benzene (85291-68-5)

Guidance literature:

With N-Bromosuccinimide; triphenylphosphine; In dichloromethane; at 0 - 20 ℃; for 4.5h; Inert atmosphere;

DOI:10.1021/acs.orglett.9b04157

Reference yield:

2-phenyl-1,3-propanediol diacetate (98017-92-6) → (1,3-dibromopropan-2-yl)benzene (85291-68-5)

Guidance literature:

With hydrogen bromide; at 0 ℃; dann bei 90grad;

Reference yield:

carbon tetrabromide (558-13-4) + 2-phenylpropane-1, 3-diol (1570-95-2) → (1,3-dibromopropan-2-yl)benzene (85291-68-5)

Guidance literature:

With triphenylphosphine; at 20 ℃;

DOI:10.1007/s11243-015-9937-y

upstream raw materials:

2-phenylpropane-1, 3-diol

2-phenyl-1,3-propanediol diacetate

carbon tetrabromide

Downstream raw materials:

(S)-3-bromo-2-phenylpropan-1-ol

(R)-3-bromo-2-phenyl-1-propanol

3-phenylthietane

4-Phenyl-2-methoxycarbonyl-4-enoic acid methyl ester