1-Bromo-4-methylcyclohexane

Base Information

• Chemical Name: 1-Bromo-4-methylcyclohexane
• CAS No.: 6294-40-2
• Molecular Formula: C₇H₁₃Br
• Molecular Weight: 177.084
• Hs Code.: 2903890090
• European Community (EC) Number: 228-559-8
• NSC Number: 9388
• DSSTox Substance ID: DTXSID5064207
• Nikkaji Number: J102.575I
• Mol file: 6294-40-2.mol

Synonyms:1-Bromo-4-methylcyclohexane;6294-40-2;Cyclohexane, 1-bromo-4-methyl-;p-Methylcyclohexyl bromide;4-bromo-1-methylcyclohexane;4-Methylcyclohexyl bromide;NSC 9388;EINECS 228-559-8;1-Bromo-4-methylcyclohexane, cis + trans;NSC9388;1-bromo-4-methyl-cyclohexane;SCHEMBL255290;1-Bromo-4-methylcyclohexane #;DTXSID5064207;(4-Chlorophenyl)-2-pyridyl ketone;NSC-9388;4-Methylcyclohexyl bromide cis+trans;MFCD00014282;AKOS009158490;1-Bromo-4-methylcyclohexane, AldrichCPR;BP-10566;BS-22699;FT-0607507;EN300-219552

Chemical Property of 1-Bromo-4-methylcyclohexane

Chemical Property:

• Vapor Pressure: 1.6mmHg at 25°C
• Refractive Index: 1.4880
• Boiling Point: 94-96°C 50mm
• Flash Point: 94-96°C/50mm
• PSA: 0.00000
• Density: 1,262 g/cm3
• LogP: 2.96000
• Water Solubility.: Not miscible in water.
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 176.02006
• Heavy Atom Count: 8
• Complexity: 62.8

Purity/Quality:

99% ^*data from raw suppliers

1-Bromo-4-methylcyclohexane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 1900954
• Hazard Codes: Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC(CC1)Br
• Uses: 1-Bromo-4-methylcyclohexane is used as intermediates in pharmaceutical research.

Technology Process of 1-Bromo-4-methylcyclohexane

There total 2 articles about 1-Bromo-4-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:

p-methylcyclohexanol (589-91-3) → 4-bromo-1-methylcyclohexane (28046-90-4,28046-91-5,6294-40-2)

Guidance literature:

With hydrogen bromide;

Reference yield:

→ 4-bromo-1-methylcyclohexane (28046-90-4,28046-91-5,6294-40-2)

Guidance literature:

4-Methyl-cyclohexanol, PBr3, neben 3-Methyl-cyclohexylbromid;

Reference yield: 88.0%

4-bromo-1-methylcyclohexane (28046-90-4,28046-91-5,6294-40-2) + C8H11LiSi*LiCl → dimethyl(4-methylcyclohexyl)(phenyl)silane

Guidance literature:

C₈H₁₁LiSi*LiCl; With magnesium bromide; In tetrahydrofuran; at 66 ℃; for 0.166667h; Schlenk technique; Inert atmosphere;

4-bromo-1-methylcyclohexane; With ferric(III) bromide; N,N,N,N,-tetramethylethylenediamine; In tetrahydrofuran; at 0 ℃; for 1.5h; Schlenk technique; Inert atmosphere;

DOI:10.1002/anie.201807640

upstream raw materials:

p-methylcyclohexanol

Downstream raw materials:

p-menthane-8,9-dioic acid diethyl ester

4,4'-Dimethyl-bicyclohexyl

bis-(4-methyl-cyclohexyl)-mercury

Ethyl α-cyano-4-methylcyclohexaneacetate

Refernces