Benzene, (3,3-difluoropropyl)-

Base Information

• Chemical Name: Benzene, (3,3-difluoropropyl)-
• CAS No.: 146377-62-0
• Molecular Formula: C9H10F2
• Molecular Weight: 156.175
• ChEMBL ID: CHEMBL4474724
• DSSTox Substance ID: DTXSID40473991
• Nikkaji Number: J869.492C
• Wikidata: Q82303724
• Mol file: 146377-62-0.mol

Synonyms:Benzene, (3,3-difluoropropyl)-;146377-62-0;SCHEMBL4192452;CHEMBL4474724;DTXSID40473991;SBJSSUDWLOQFRO-UHFFFAOYSA-N;FT-0775261

Chemical Property of Benzene, (3,3-difluoropropyl)-

Chemical Property:

• Vapor Pressure: 1.587mmHg at 25°C
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 156.07505664
• Heavy Atom Count: 11
• Complexity: 95.7

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzene, (3,3-difluoropropyl)-

There total 13 articles about Benzene, (3,3-difluoropropyl)- 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: 84.0%

carbon monoxide (201230-82-2) + (3,3-difluoro-3-iodopropyl)benzene + 9-(3-phenylpropyl)-9-borabicyclo[3.3.1]nonane (180286-97-9) → 3,3-difluoro-1,7-diphenylheptan-4-one + 1,1-difluoro-3-phenyl-propane (146377-62-0)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; potassium phosphate; water; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In 1,4-dioxane; at 60 ℃; for 24h; under 760.051 Torr; Temperature; Reagent/catalyst; Catalytic behavior; Schlenk technique; Sealed tube;

DOI:10.1021/acs.orglett.1c03396

Reference yield: 83.0%

3-phenyl-propionaldehyde (104-53-0) → 1,1-difluoro-3-phenyl-propane (146377-62-0)

Guidance literature:

With triethylamine tris(hydrogen fluoride); ethanaminium,N-(difluoro-λ⁴-sulfanylidene)-N-ethyl-,tetrafluoroborate; In dichloromethane; at 20 ℃; Inert atmosphere;

DOI:10.1021/ol902039q

Reference yield: 70.0%

Trifluoro-methanesulfonic acid 3-phenyl-1-trifluoromethanesulfonyloxy-propyl ester (141694-57-7) → 1,1-difluoro-3-phenyl-propane (146377-62-0)

Guidance literature:

With tetra-n-butylammonium difluorotriphenylstannate; In dichloromethane; for 2h; Ambient temperature;

DOI:10.1016/0040-4039(93)88046-L

upstream raw materials:

Trifluoro-methanesulfonic acid 3-phenyl-1-trifluoromethanesulfonyloxy-propyl ester

3-phenyl-propionaldehyde

1,1-difluoro-3-phenylpropyl phenyl selenide

styrene