7,7-Dibromobicyclo[4.1.0]hept-3-ene

Base Information

• Chemical Name: 7,7-Dibromobicyclo[4.1.0]hept-3-ene
• CAS No.: 6802-78-4
• Molecular Formula: C₇H₈Br₂
• Molecular Weight: 251.949
• Hs Code.: 2903890090
• DSSTox Substance ID: DTXSID60340131
• Nikkaji Number: J720.431K
• Mol file: 6802-78-4.mol

Synonyms:7,7-dibromobicyclo[4.1.0]hept-3-ene;6802-78-4;7,7-Dibromo-bicyclo[4.1.0]hept-3-ene;Bicyclo[4.1.0]hept-3-ene,7,7-dibromo-;SCHEMBL21471626;DTXSID60340131;AKOS015891278;FT-0689914

Chemical Property of 7,7-Dibromobicyclo[4.1.0]hept-3-ene

Chemical Property:

• Boiling Point: 228.8 °C at 760 mmHg
• Flash Point: 98.3 °C
• PSA: 0.00000
• Density: 2.005 g/cm³
• LogP: 3.06850
• Storage Temp.: 2-8°C
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 251.89723
• Heavy Atom Count: 9
• Complexity: 144

Purity/Quality:

98%min ^*data from raw suppliers

7,7-Dibromobicyclo[4.1.0]hept-3-ene 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C=CCC2C1C2(Br)Br

Technology Process of 7,7-Dibromobicyclo[4.1.0]hept-3-ene

There total 6 articles about 7,7-Dibromobicyclo[4.1.0]hept-3-ene 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: 79.0%

Bromoform (75-25-2) + cyclohexa-1,4-diene (1165952-92-0) → 7,7-dichlorobicyclo<4.1.0>hept-3-ene (6802-78-4,212268-85-4)

Guidance literature:

With sodium hydroxide; cetyltrimethylammonim bromide; In dichloromethane; at 0 - 5 ℃; for 2h;

DOI:10.1002/(SICI)1522-2675(20000315)83:3<562::AID-HLCA562>3.0.CO;2-M

Reference yield:

Bromoform (75-25-2) + cyclohexa-1,4-diene (1165952-92-0) → 7,7-dichlorobicyclo<4.1.0>hept-3-ene (6802-78-4,212268-85-4) + (1α,3β,5β,7α)-4,4,8,8-tetrabromotricyclo<5.1.0.0>octane (50843-61-3)

Guidance literature:

With potassium tert-butylate; pentane;

DOI:10.1021/ja01513a059

Reference yield:

cyclohexa-1,4-diene (1165952-92-0) → 7,7-dichlorobicyclo<4.1.0>hept-3-ene (6802-78-4,212268-85-4)

Guidance literature:

With Bromoform; potassium tert-butylate; pentane;

DOI:10.1021/ja01513a059

upstream raw materials:

Bromoform

cyclohexa-1,4-diene

potassium tert-butylate

tert-butyl alcohol

Downstream raw materials:

cis-4,4-dibromo-8-(toluene-4-sulfonyl)-8-azatricyclo[5.1.0.0^3,5]octane

5-bromo-2-methoxycyclohepta-2,4,6-trien-1-one

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