6-Bromo-1-methylcyclohexene

Base Information

• Chemical Name: 6-Bromo-1-methylcyclohexene
• CAS No.: 40648-23-5
• Molecular Formula: C7H11Br
• Molecular Weight: 175.068
• NSC Number: 174671
• DSSTox Substance ID: DTXSID10306222
• Mol file: 40648-23-5.mol

Synonyms:6-bromo-1-methylcyclohexene;40648-23-5;6-bromo-1-methylcyclohex-1-ene;NSC174671;SCHEMBL16965165;DTXSID10306222;SWPQJEUVZUTALE-UHFFFAOYSA-N;NSC-174671;FT-0707940;EN300-7596032

Chemical Property of 6-Bromo-1-methylcyclohexene

Chemical Property:

• Vapor Pressure: 2.32mmHg at 25°C
• Boiling Point: 166.7°Cat760mmHg
• Flash Point: 60.7°C
• Density: 1.325g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 174.00441
• Heavy Atom Count: 8
• Complexity: 105

Purity/Quality:

99% ，98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CCCCC1Br

Technology Process of 6-Bromo-1-methylcyclohexene

There total 5 articles about 6-Bromo-1-methylcyclohexene 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:

2-bromo-1-hydroxy-1-methylcyclohexane (73446-71-6) → (±)-6-bromo-1-methylcyclohex-1-ene (40648-23-5)

Guidance literature:

With boron trifluoride diethyl etherate; In dichloromethane; for 1h; Inert atmosphere; Reflux;

DOI:10.1002/adsc.200900790

Reference yield:

1-methylcyclohex-1-ene (591-49-1) → (±)-6-bromo-1-methylcyclohex-1-ene (40648-23-5)

Guidance literature:

With tetrachloromethane; N-Bromosuccinimide;

Reference yield:

1-methylcyclohex-1-ene (591-49-1) → (±)-3-bromo-1-methylcyclohex-1-ene (40648-22-4) + (±)-6-bromo-1-methylcyclohex-1-ene (40648-23-5)

Guidance literature:

With N-Bromosuccinimide; Perbenzoic acid; In tetrachloromethane; for 5h; Title compound not separated from byproducts; Irradiation; cooling with water;

upstream raw materials:

1-methylcyclohex-1-ene

2-methylcyclohex-2-en-1-ol

2-bromo-1-hydroxy-1-methylcyclohexane

Downstream raw materials:

dimethyl-(2-methyl-cyclohex-2-enyl)-amine

2-methyl-2-cyclohexen-1-one

2-But-3-ynyl-2-(2-methyl-cyclohex-2-enyl)-benzo[1,3]dithiole 1,1,3,3-tetraoxide

(-)-(S)-(2-(2-methylcyclohex-2-enyl)ethyl)benzene