1-Bromo-4-(trans-4-pentylcyclohexyl)benzene

Base Information

• Chemical Name: 1-Bromo-4-(trans-4-pentylcyclohexyl)benzene
• CAS No.: 79832-89-6
• Molecular Formula: C17H25Br
• Molecular Weight: 309.289
• Hs Code.: 2903999090
• European Community (EC) Number: 483-330-1,616-745-5
• DSSTox Substance ID: DTXSID801000794
• Nikkaji Number: J867.267I
• Mol file: 79832-89-6.mol

Synonyms:79832-89-6;1-Bromo-4-(Trans-4-n-Pentylcyclohexyl)Benzene;1-Bromo-4-(trans-4-pentylcyclohexyl)benzene;1-bromo-4-(4-pentylcyclohexyl)benzene;153873-83-7;Benzene, 1-bromo-4-(4-pentylcyclohexyl)-;1-(4-bromophenyl)-4-pentylcyclohexane;Benzene, 1-bromo-4-(trans-4-pentylcyclohexyl)-;MFCD00577359;4-PENTYL-CYCLOHEXYL BROMO PHENOL;1-bromo-4-((1s,4r)-4-pentylcyclohexyl)benzene;SCHEMBL223135;SCHEMBL223136;QUWHOIKFJBTGHZ-SHTZXODSSA-N;DTXSID801000794;AMY25203;MFCD00480792;STK027693;AKOS005080838;AKOS015835634;4-(trans-4-pentylcyclohexyl)bromobenzene;DS-12929;SY021475;4-(trans-4-pentylcyclohexy)phenyl bromide;4-(trans-4-n-pentylcyclohexyl)bromobenzene;4-(trans-4-n-pentylcyclohexyl) bromobenzene;CS-0152359;FT-0601226;FT-0717922;A24050;12N-139;J-504437;TRANS-4-(4-PENTYLCYCLOHEXYL)-1-BROMOBENZENE

Chemical Property of 1-Bromo-4-(trans-4-pentylcyclohexyl)benzene

Chemical Property:

• Vapor Pressure: 3.89E-05mmHg at 25°C
• Refractive Index: 1.518
• Boiling Point: 363 °C at 760 mmHg
• Flash Point: 165.9 °C
• PSA: 0.00000
• Density: 1.129 g/cm³
• LogP: 6.30320
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 7.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 308.11396
• Heavy Atom Count: 18
• Complexity: 210

Purity/Quality:

99%, ^*data from raw suppliers

1-Bromo-4-(trans-4-pentylcyclohexyl)benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC1CCC(CC1)C2=CC=C(C=C2)Br
• Uses: Intermediates of Liquid Crystals

Technology Process of 1-Bromo-4-(trans-4-pentylcyclohexyl)benzene

There total 2 articles about 1-Bromo-4-(trans-4-pentylcyclohexyl)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: 86.0%

1.4-dibromobenzene (106-37-6) + 4-n-pentylcyclohexylmagnesium bromide → 1-bromo-4-(trans-4-pentylcyclohexyl)benzene (79832-89-6,153873-83-7)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In diethyl ether; Ambient temperature;

Reference yield:

trans-4-pentylcyclohexylbenzene (66227-31-4) + iron (7439-89-6) + sodium hydrogensulfite → 1-bromo-4-(trans-4-pentylcyclohexyl)benzene (79832-89-6,153873-83-7)

Guidance literature:

With bromine; iodine; In dichloromethane;

Reference yield: 97.0%

1-bromo-4-(trans-4-pentylcyclohexyl)benzene (79832-89-6,153873-83-7) + (3,4-difluorophenyl)boronic acid (168267-41-2) → 3,4-difluoro-4'-(4-pentylcyclohexyl)-1,1'-biphenyl (134412-17-2)

Guidance literature:

With 5%-palladium/activated carbon; potassium carbonate; In ethanol; water; at 80 ℃; for 0.5h;

DOI:10.1002/ejoc.201300334

upstream raw materials:

1.4-dibromobenzene

trans-4-pentylcyclohexylbenzene

iron

Downstream raw materials:

3r-methyl-4t-propyl-1c-<4'-(trans-4-amylcyclohexyl)-4-biphenylyl>cyclohexane

3,4,5-trifluoro-4'-(4-pentylcyclohexyl)-1,1'-biphenyl

4-(trans-4-pentylcyclohexyl)phenylboronic acid

2,6-difluoro-3-[4-(trans-4-pentylcyclohexyl)phenyl]-pyridine

Refernces

• 1、 -. "Cyclic hydrocarbon derivative and liquid crystal composition containing the same". . . Retrieved 2008/06/13.