3,3',4,4'-Tetrafluorobenzophenone

Base Information

• Chemical Name: 3,3',4,4'-Tetrafluorobenzophenone
• CAS No.: 117320-03-3
• Molecular Formula: C₁₃H₆F₄O
• Molecular Weight: 254.184
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID80375228
• Nikkaji Number: J3.326.418F
• Wikidata: Q82163758
• Mol file: 117320-03-3.mol

Synonyms:3,3',4,4'-Tetrafluorobenzophenone;117320-03-3;bis(3,4-difluorophenyl)methanone;3,4-difluorophenylketone;Di(m,p-difluorophenyl) ketone;SCHEMBL7967901;DTXSID80375228;JJJYUJKMLDIINP-UHFFFAOYSA-N;MFCD06201561;AKOS009339210;J-003604

Chemical Property of 3,3',4,4'-Tetrafluorobenzophenone

Chemical Property:

• Vapor Pressure: 0.000137mmHg at 25°C
• Boiling Point: 103°C/0.1mm
• Flash Point: 127.8°C
• PSA: 17.07000
• Density: 1.378g/cm³
• LogP: 3.47400
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 254.03547746
• Heavy Atom Count: 18
• Complexity: 281

Purity/Quality:

98%Min ^*data from raw suppliers

3,3',4,4'-Tetrafluorobenzophenone 97% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(=O)C2=CC(=C(C=C2)F)F)F)F

Technology Process of 3,3',4,4'-Tetrafluorobenzophenone

There total 3 articles about 3,3',4,4'-Tetrafluorobenzophenone 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: 80.0%

carbon monoxide (201230-82-2) + (3,4-difluorophenyl)boronic acid (168267-41-2) → bis(3,4-difluorophenyl)methanone (117320-03-3)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; 1,3-bis-(diphenylphosphino)propane; silver nitrate; In acetone; at 40 ℃; for 24h; under 760.051 Torr; Autoclave; Inert atmosphere;

DOI:10.1055/s-0033-1340957

Reference yield:

1-bromo-3,4-difluorobenzene (348-61-8) → bis(3,4-difluorophenyl)methanone (117320-03-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 80 percent / n-BuLi / hexane; diethyl ether / 1.) -78 deg C, 30 min, 2.) -78 to 20 deg C, overnight

2: chromic acid / diethyl ether; H₂O

With n-butyllithium; chromic acid; In diethyl ether; hexane; water;

DOI:10.1016/0022-1139(96)03424-0

Reference yield:

bis(3,4-difluorophenyl)methanol (182192-98-9) → bis(3,4-difluorophenyl)methanone (117320-03-3)

Guidance literature:

With chromic acid; In diethyl ether; water;

DOI:10.1016/0022-1139(96)03424-0

upstream raw materials:

bis(3,4-difluorophenyl)methanol

1-bromo-3,4-difluorobenzene

carbon monoxide

(3,4-difluorophenyl)boronic acid

Refernces

• 1、 Yarwood, Thomas David,Waring, Anthony John,Coe, Paul Leslie. "Synthetic applications of fluorinated phenyllithiums: Preparation of fluorinated α-methylstyrenes, benzhydrols, benzophenones and aryltrimethylsilanes". . p. 113 - 119. Retrieved 2007/10/03.