Benzene, [1-(difluoromethylene)-3-butenyl]-

Base Information

• Chemical Name: Benzene, [1-(difluoromethylene)-3-butenyl]-
• CAS No.: 89264-12-0
• Molecular Formula: C11H10F2
• Molecular Weight: 180.197
• DSSTox Substance ID: DTXSID90446372
• Mol file: 89264-12-0.mol

Synonyms:89264-12-0;Benzene, [1-(difluoromethylene)-3-butenyl]-;[1-(difluoromethylene)-3-butenyl]benzene;DTXSID90446372;1-(difluoro-methylene)-but-3-enyl-benzene

Chemical Property of Benzene, [1-(difluoromethylene)-3-butenyl]-

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 180.07505664
• Heavy Atom Count: 13
• Complexity: 196

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCC(=C(F)F)C1=CC=CC=C1

Technology Process of Benzene, [1-(difluoromethylene)-3-butenyl]-

There total 5 articles about Benzene, [1-(difluoromethylene)-3-butenyl]- 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: 88.0%

allyl iodid (556-56-9) + 2,2-difluoro-1-phenylethenyl diphenyl phosphate (89264-10-8) → 1,1-difluoro-2-phenyl-1,4-pentadiene (89264-12-0)

Guidance literature:

With copper(l) iodide; n-butyllithium; In tetrahydrofuran; at -60 ℃; for 1h;

DOI:10.1016/S0040-4039(00)94166-2

Reference yield: 79.0%

2,2-difluoro-1-phenylethenyl diphenyl phosphate (89264-10-8) + allyl bromide (106-95-6) → 1,1-difluoro-2-phenyl-1,4-pentadiene (89264-12-0)

Guidance literature:

With copper(l) iodide; n-butyllithium; In tetrahydrofuran; hexane; at -60 ℃; for 1h;

DOI:10.1016/S0040-4039(00)94166-2

Reference yield: 65.0%

3,3,3-trifluoro-2-phenylpropene (384-64-5) + vinyllithium (917-57-7) → 1,1-difluoro-2-phenyl-1,4-pentadiene (89264-12-0)

Guidance literature:

In diethyl ether; -78 deg C, 30 min, then 0 deg C, 1 h;

DOI:10.1016/0040-4039(95)00933-4

upstream raw materials:

allyl iodid

2,2-difluoro-1-phenylethenyl diphenyl phosphate

allyl bromide

3-chloroprop-1-ene