1,2-Dibromocyclohexene

Base Information

• Chemical Name: 1,2-Dibromocyclohexene
• CAS No.: 49676-92-8
• Molecular Formula: C6H8Br2
• Molecular Weight: 239.938
• European Community (EC) Number: 863-209-3
• NSC Number: 157549
• DSSTox Substance ID: DTXSID50303255
• Nikkaji Number: J976.438K
• Wikidata: Q82048440
• Mol file: 49676-92-8.mol

Synonyms:1,2-dibromocyclohexene;49676-92-8;1,2-dibromocyclohex-1-ene;1,2-Dibromo-1-cyclohexene;Dibrom-cyclohexen;NSC157549;SCHEMBL4923961;UAXJYZLOXJOJRS-UHFFFAOYSA-;DTXSID50303255;UAXJYZLOXJOJRS-UHFFFAOYSA-N;MFCD32220187;NSC-157549;SY272424;E86296;EN300-7445590;10.14272/UAXJYZLOXJOJRS-UHFFFAOYSA-N.1;doi:10.14272/UAXJYZLOXJOJRS-UHFFFAOYSA-N.1;InChI=1/C6H8Br2/c7-5-3-1-2-4-6(5)8/h1-4H2

Chemical Property of 1,2-Dibromocyclohexene

Chemical Property:

• Vapor Pressure: 0.123mmHg at 25°C
• Boiling Point: 226.4°C at 760 mmHg
• Flash Point: 96.3°C
• Density: 1.927g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 239.89723
• Heavy Atom Count: 8
• Complexity: 102

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(=C(C1)Br)Br

Technology Process of 1,2-Dibromocyclohexene

There total 5 articles about 1,2-Dibromocyclohexene 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: 43.0%

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 1,2-dibromocyclohex-1-ene (49676-92-8)

Guidance literature:

cyclohexanone; With phosphorus pentachloride; In chloroform; at -10 ℃; for 3h; Inert atmosphere; Reflux;

With bromine; In dichloromethane; at 0 ℃;

DOI:10.1002/chem.202000338

Reference yield:

1-chlorocyclohexene (930-66-5) → 1,2-dibromocyclohex-1-ene (49676-92-8)

Guidance literature:

With bromine; sodium hydroxide;

DOI:10.1021/acs.orglett.1c02459

Reference yield:

1,2-dibromo-1-chlorocyclohexane (98139-95-8) → 1-chlorocyclohexene (930-66-5) + 1,2-dibromocyclohex-1-ene (49676-92-8)

Guidance literature:

With potassium hydroxide;

upstream raw materials:

1,2-dibromo-1-chlorocyclohexane

cyclohexanone

1-chlorocyclohexene

Downstream raw materials:

5,6,7,8-Tetrahydronaphthalen-1-ol

(E)-3-(cyclohex-1-ene)-prop-2-enoic acid methyl ester

methyl (E)-3-{2-[(E)-2-(methoxycarbonyl)ethenyl]-1-cyclohexen-1-yl}acrylate

1,2-(E,E)-distyrylcyclohexene