1-Bromo-1-methylcyclohexane

Base Information

• Chemical Name: 1-Bromo-1-methylcyclohexane
• CAS No.: 931-77-1
• Molecular Formula: C7H13Br
• Molecular Weight: 177.084
• DSSTox Substance ID: DTXSID80500578
• Nikkaji Number: J843.046B
• Wikidata: Q82352289
• Mol file: 931-77-1.mol

Synonyms:1-bromo-1-methylcyclohexane;931-77-1;1-bromo-1-methyl-cyclohexane;Cyclohexane, 1-bromo-1-methyl-;MFCD21338541;bromo-methyl-cyclohexane;SCHEMBL1443604;DTXSID80500578;VSGXTQWTJYAQHO-UHFFFAOYSA-N;AKOS015906265;PB43868;BS-42785;SY238280;P19508;EN300-1914631

Chemical Property of 1-Bromo-1-methylcyclohexane

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 176.02006
• Heavy Atom Count: 8
• Complexity: 72.5

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCCCC1)Br

Technology Process of 1-Bromo-1-methylcyclohexane

There total 20 articles about 1-Bromo-1-methylcyclohexane 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%

1-methylcyclohex-1-ene (591-49-1) → 1-bromo-1-methylcyclohexane (931-77-1)

Guidance literature:

With (R)-2,6-di([1,1'-biphenyl]-4-yl)-4-hydroxydinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine-4-oxide; boron tribromide; In dichloromethane-d2; at 20 ℃; for 1h;

DOI:10.1021/jacs.5b08693

Reference yield: 85.0%

1-methyl-1-<(tert-butyldimethylsilyl)oxy>cyclohexane (76358-83-3) → 1-bromo-1-methylcyclohexane (931-77-1)

Guidance literature:

With boron tribromide; In dichloromethane; for 0.166667h; Ambient temperature;

DOI:10.1021/jo00248a038

Reference yield: 84.0%

methylenecyclohexane (1192-37-6) → 1-bromo-1-methylcyclohexane (931-77-1)

Guidance literature:

With hydrogen bromide; cetyltributylphosphonium bromide; at 115 ℃; for 1h;

DOI:10.1021/jo01305a038

upstream raw materials:

1-methylcyclohex-1-ene

1-Methylcyclohexanol

1-Methyl-1-methoxycyclohexane

methyl cyclohexane

Downstream raw materials:

1-methylcyclohex-1-ene

1-acetoxy-1-methyl-cyclohexane

ethyl (Z)-2-(1-methylcyclohexyloxyimino)-3-oxobutyrate

1-methylcyclohexyl trifluoroethyl ether