Benzene, (2,2-difluoro-1-methylethenyl)-

Base Information

• Chemical Name: Benzene, (2,2-difluoro-1-methylethenyl)-
• CAS No.: 700-59-4
• Molecular Formula: C9H8F2
• Molecular Weight: 154.159
• DSSTox Substance ID: DTXSID70501094
• Nikkaji Number: J724.079A
• Mol file: 700-59-4.mol

Synonyms:700-59-4;Benzene, (2,2-difluoro-1-methylethenyl)-;1,1-difluoroprop-1-en-2-ylbenzene;(2,2-Difluoro-1-methylethenyl)-Benzene;SCHEMBL16933865;DTXSID70501094;ODEVGSYPXBGUIS-UHFFFAOYSA-N;(2,2-difluoro-1-methylvinyl)benzene;(2,2-difluoro-1-methyl-vinyl)-benzene;1-(1,1-difluoroprop-1-en-2-yl)benzene;(1,1-DIFLUOROPROP-1-EN-2-YL)BENZENE;A19080

Chemical Property of Benzene, (2,2-difluoro-1-methylethenyl)-

Chemical Property:

• PSA: 0.00000
• LogP: 3.31410
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 154.05940658
• Heavy Atom Count: 11
• Complexity: 151

Purity/Quality:

97% ^*data from raw suppliers

(1,1-difluoroprop-1-en-2-yl)benzene 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzene, (2,2-difluoro-1-methylethenyl)-

There total 14 articles about Benzene, (2,2-difluoro-1-methylethenyl)- 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: 90.0%

3,3-Difluoro-4-methyl-4-phenyloxetan-2-one (206346-84-1) → β,β-difluoro-α-methylstyrene (700-59-4)

Guidance literature:

at 100 ℃;

DOI:10.1016/S0022-1139(97)00134-6

Reference yield: 81.0%

dibromodifluoromethane (75-61-6) + acetophenone (98-86-2) → β,β-difluoro-α-methylstyrene (700-59-4)

Guidance literature:

With Hexamethylphosphorous triamide; In various solvent(s); Ambient temperature;

DOI:10.1016/S0022-1139(00)81218-X

Reference yield: 59.0%

2,3-Dimethyl-2-butene (563-79-1) + Chlorodifluoromethane (75-45-6) + (1-phenylethyl)triphenylphosphonium bromide (30537-09-8) → 1,1-difluoro-2,2,3,3-tetramethylcyclopropane (823-25-6) + β,β-difluoro-α-methylstyrene (700-59-4)

Guidance literature:

With phenyllithium; Yield given. Multistep reaction;

DOI:10.1021/jo00155a001

upstream raw materials:

dibromodifluoromethane

acetophenone

sodium 2,2,2-trifluoroacetate

2,3-Dimethyl-2-butene

Downstream raw materials:

hydratropic acid

(Z)-β-fluoro-α-methylstyrene

(E)-β-fluoro-α-methylstyrene