3',4'-Difluoropropiophenone

Base Information

• Chemical Name: 3',4'-Difluoropropiophenone
• CAS No.: 23384-72-7
• Molecular Formula: C9H8F2O
• Molecular Weight: 170.159
• Hs Code.: 2914700090
• European Community (EC) Number: 245-627-2
• DSSTox Substance ID: DTXSID101297758
• Nikkaji Number: J228.946F
• Mol file: 23384-72-7.mol

Synonyms:3',4'-Difluoropropiophenone;23384-72-7;1-(3,4-difluorophenyl)propan-1-one;3,4-Difluoropropiophenone;1-Propanone, 1-(3,4-difluorophenyl)-;MFCD00015505;C9H8F2O;Propiophenone, 3',4'-difluoro-;SCHEMBL633278;DTXSID101297758;SC5049;1-(3,4-Difluorophenyl)-1-propanone;AKOS000148718;DS-3992;1-(3,4-difluoro-phenyl)-propan-1-one;1-(3,4-Difluorophenyl)-1-propanone #;SY106395;CS-0152659;FT-0614299;1-(3,4-Difluorophenyl)-1-propanone, AldrichCPR;A816693;3 inverted exclamation mark ,4 inverted exclamation mark -Difluoropropiophenone

Chemical Property of 3',4'-Difluoropropiophenone

Chemical Property:

• Vapor Pressure: 0.0886mmHg at 25°C
• Refractive Index: 1.488
• Boiling Point: 225 °C at 760 mmHg
• Flash Point: 84.8 °C
• PSA: 17.07000
• Density: 1.166 g/cm³
• LogP: 2.55750
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 170.05432120
• Heavy Atom Count: 12
• Complexity: 170

Purity/Quality:

99% ^*data from raw suppliers

1-(3,4-Difluorophenyl)propan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36-36/37

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3',4'-Difluoropropiophenone

There total 5 articles about 3',4'-Difluoropropiophenone 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: 69.0%

1-(3,4-difluorophenyl)propan-1-ol → 1-(3,4-difluorophenyl)propan-1-one (23384-72-7)

Guidance literature:

In dichloromethane; pyridinium chlorochromate;

Reference yield: 62.0%

ortho-difluorobenzene (367-11-3) + propionyl chloride (79-03-8) → 1-(3,4-difluorophenyl)propan-1-one (23384-72-7)

Guidance literature:

With aluminum (III) chloride; at 20 - 100 ℃; for 4.16667h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.9b00091

Reference yield: 61.0%

3',4'-difluoroacetophenone (369-33-5) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 1-(3,4-difluorophenyl)propan-1-one (23384-72-7)

Guidance literature:

With ammonium peroxydisulfate; dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; In water; at 110 ℃; for 3h; Inert atmosphere; Sealed tube;

DOI:10.1021/ol403040g

upstream raw materials:

3',4'-difluoroacetophenone

N,N-dimethyl-formamide

3,4 difluorobenzaldehyde

ortho-difluorobenzene

Downstream raw materials:

[1-(3,4-difluoro-phenyl)-propylamino]-acetic acid methyl ester

1-(3-fluoro-4-morpholinophenyl)propan-1-one

Refernces

• 1、 Li, Yang,Xue, Dong,Lu, Wei,Wang, Chao,Liu, Zhao-Tie,Xiao, Jianliang. "DMF as carbon source: Rh-catalyzed α-methylation of ketones". supporting information. p. 66 - 69. Retrieved 2014/01/23.
• 2、 -. "Oxazolidinones as alpha 1A receptor antagonists". . . Retrieved 2008/06/13.