1-Bromo-3-cyclohexylbenzene

Base Information

• Chemical Name: 1-Bromo-3-cyclohexylbenzene
• CAS No.: 19920-84-4
• Molecular Formula: C12H15Br
• Molecular Weight: 239.155
• Hs Code.: 2903999090
• European Community (EC) Number: 826-807-5
• DSSTox Substance ID: DTXSID60593367
• Wikidata: Q82487841
• Mol file: 19920-84-4.mol

Synonyms:1-Bromo-3-cyclohexylbenzene;19920-84-4;1-BROMO-3-CYCLOHEXYL-BENZENE;Benzene, 1-bromo-3-cyclohexyl-;SCHEMBL5149459;DTXSID60593367;AKOS015946746;DB-337141;EN300-175840;A901808

Chemical Property of 1-Bromo-3-cyclohexylbenzene

Chemical Property:

• Boiling Point: 289.2±19.0 °C(Predicted)
• PSA: 0.00000
• Density: 1.280±0.06 g/cm3(Predicted)
• LogP: 4.49680
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 238.03571
• Heavy Atom Count: 13
• Complexity: 149

Purity/Quality:

97% ^*data from raw suppliers

1-Bromo-3-cyclohexylbenzene 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)C2=CC(=CC=C2)Br

Technology Process of 1-Bromo-3-cyclohexylbenzene

There total 10 articles about 1-Bromo-3-cyclohexylbenzene 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:

bromobenzene (108-86-1,52753-63-6) + cyclohexane (110-82-7,25012-93-5) → 4-bromo(cyclohexyl)benzene (25109-28-8) + 1-bromo-2-cyclohexylbenzene (59734-92-8) + 1-bromo-3-cyclohexyl-benzene (19920-84-4)

Guidance literature:

With dodecacarbonyl-triangulo-triruthenium; di-tert-butyl peroxide; 1,4-di(diphenylphosphino)-butane; at 135 ℃; for 12h; under 760.051 Torr; regioselective reaction; Under air; Darkness;

DOI:10.1021/ol202081c

Reference yield:

aluminium trichloride (7446-70-0) + bromobenzene (108-86-1,52753-63-6) + cyclohexyl chloride (542-18-7) → 1.4-dibromobenzene (106-37-6) + 4-bromo(cyclohexyl)benzene (25109-28-8) + 1-bromo-2-cyclohexylbenzene (59734-92-8) + 1-bromo-3-cyclohexyl-benzene (19920-84-4)

Guidance literature:

DOI:10.1021/ja01286a005 DOI:10.1021/ja01863a062

Reference yield:

3-cyclohexylbenzenamine (5369-21-1) → 1-bromo-3-cyclohexyl-benzene (19920-84-4)

Guidance literature:

With hydrogen bromide; copper(ll) bromide; isopentyl nitrite; In acetonitrile; at 70 ℃; for 3h;

upstream raw materials:

aluminium trichloride

bromobenzene

cyclohexyl chloride

cyclohexane

Downstream raw materials:

1-(4-cyclohexyl-phenyl)-2,2,4,4-tetramethyl-3-(4-phenyl-piperazin-1-yl)-cyclobutanol