3-(Bromomethyl)cyclohexene

Base Information

• Chemical Name: 3-(Bromomethyl)cyclohexene
• CAS No.: 34825-93-9
• Molecular Formula: C7H11 Br
• Molecular Weight: 175.068
• Hs Code.: 2903890090
• DSSTox Substance ID: DTXSID20858808
• Nikkaji Number: J109.055K
• Mol file: 34825-93-9.mol

Synonyms:3-(BROMOMETHYL)CYCLOHEXENE;34825-93-9;3-(bromomethyl)cyclohex-1-ene;Cyclohexene, 3-(bromomethyl)-;3-bromomethylcyclohexene;SCHEMBL17578910;DTXSID20858808;NRDIHSPUUCHBQG-UHFFFAOYSA-N;3-(Bromomethyl)-1-cyclohexene #;EN300-1717289

Chemical Property of 3-(Bromomethyl)cyclohexene

Chemical Property:

• Vapor Pressure: 0.813mmHg at 25°C
• Boiling Point: 188.8°Cat760mmHg
• Flash Point: 64.5°C
• PSA: 0.00000
• Density: 1.306g/cm³
• LogP: 2.73760
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 174.00441
• Heavy Atom Count: 8
• Complexity: 86.4

Purity/Quality:

3-(Bromomethyl)cyclohexene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC=CC(C1)CBr

Technology Process of 3-(Bromomethyl)cyclohexene

There total 13 articles about 3-(Bromomethyl)cyclohexene 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: 98.0%

endo-2-norcaranol (7432-49-7,6376-96-1,31022-87-4,38263-37-5,38263-38-6,136616-41-6) → 1-bromomethylcyclohex-2-ene (34825-93-9) + 4-Bromocycloheptene (73611-79-7)

Guidance literature:

With magnesium bromide; zinc dibromide; In diethyl ether; for 19h; Heating;

DOI:10.1021/jo01301a003

Reference yield: 74.0%

3-hydroxymethylcyclohexene (103668-33-3,3309-97-5) → 1-bromomethylcyclohex-2-ene (34825-93-9)

Guidance literature:

With N-Bromosuccinimide; triphenylphosphine; In dichloromethane; at 0 - 20 ℃; for 17h;

DOI:10.1021/jo3010556

Reference yield: 57.0%

cyclohex-2-en-1-ylmethyl 4-methylbenzenesulfonate (63262-74-8) → 1-bromomethylcyclohex-2-ene (34825-93-9)

Guidance literature:

With sodium bromide; In glycerol; at 140 ℃; under 20 Torr;

DOI:10.1007/BF00957243

upstream raw materials:

tricyclo[4.1.0.0^2,7]heptane

bicyclo[4.1.0]heptane

3-hydroxymethylcyclohexene

cyclohex-2-en-1-ylmethyl 4-methylbenzenesulfonate

Downstream raw materials:

2-(cyclohex-2-enyl)ethanol

β-(cyclohexen-2-yl)alanine

(RS)-3-(N-benzyl-N-methylamino)methylcyclohex-1-ene

(RS)-3-(N-benzyl-N-isopropylamino)methylcyclohex-1-ene