3-Bromo-beta,beta-difluorostyrene

Base Information

• Chemical Name: 3-Bromo-beta,beta-difluorostyrene
• CAS No.: 84750-92-5
• Molecular Formula: C8H5 Br F2
• Molecular Weight: 219.029
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID10463384
• Nikkaji Number: J1.302.109K
• Mol file: 84750-92-5.mol

Synonyms:3-Bromo-beta,beta-difluorostyrene;84750-92-5;1-bromo-3-(2,2-difluorovinyl)benzene;1-bromo-3-(2,2-difluoroethenyl)benzene;SCHEMBL2279404;DTXSID10463384

Chemical Property of 3-Bromo-beta,beta-difluorostyrene

Chemical Property:

• PSA: 0.00000
• LogP: 3.68650
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 217.95427
• Heavy Atom Count: 11
• Complexity: 152

Purity/Quality:

97% ^*data from raw suppliers

3-BROMO-BETA,BETA-DIFLUOROSTYRENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Bromo-beta,beta-difluorostyrene

There total 7 articles about 3-Bromo-beta,beta-difluorostyrene 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: 91.0%

m-bromobenzoic aldehyde (3132-99-8) + trimethylsilyl-2,2-difluoro-2-(fluorosulphonyl)acetate (120801-75-4) → 1-bromo-3-(2,2-difluorovinyl)benzene (84750-92-5)

Guidance literature:

m-bromobenzoic aldehyde; With sodium fluoride; triphenylphosphine; In ethyl acetate; at 90 ℃; for 0.0166667h; Schlenk technique; Inert atmosphere;

trimethylsilyl-2,2-difluoro-2-(fluorosulphonyl)acetate; In ethyl acetate; at 90 ℃; for 1h; Schlenk technique; Inert atmosphere;

DOI:10.1002/chem.201303248

Reference yield: 75.0%

m-bromobenzoic aldehyde (3132-99-8) + sodium chlorodifluoroacetate (1895-39-2) → 1-bromo-3-(2,2-difluorovinyl)benzene (84750-92-5)

Guidance literature:

With triphenylphosphine; In N,N-dimethyl-formamide; at 110 ℃; for 2h;

DOI:10.1002/anie.201813801

Reference yield: 70.0%

2,2,2-trifluorodiazoethane (371-67-5) + (3-bromophenyl)boronic acid (89598-96-9) → 1-bromo-3-(2,2-difluorovinyl)benzene (84750-92-5) + 1-bromo-3-(2,2,2-trifluoroethyl)benzene

Guidance literature:

With ammonium chloride; lithium hydroxide; at 100 ℃; for 24h; Schlenk technique;

DOI:10.1002/ejoc.201402597

upstream raw materials:

m-bromobenzoic aldehyde

chlorodifluoroacetic acid lithium salt

sodium chlorodifluoroacetate

3-bromophenyl trifluoromethanesulfonate

Downstream raw materials:

3-(2,2-difluoroethenyl)benzaldehyde

3,3'-((2RS,3SR)-1,1,1,4,4,4-hexafluorobutane-2,3-diyl)bis(bromobenzene)

(E)-1-(2-(3-bromophenyl)-1-fluorovinyl)-1H-benzo[d]imidazole

(Z)-1-(2-(3-bromophenyl)-1-fluorovinyl)-1H-benzo[d]imidazole

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