2,2-Difluoro-1-phenyl-1-propanone

Base Information

• Chemical Name: 2,2-Difluoro-1-phenyl-1-propanone
• CAS No.: 703-17-3
• Molecular Formula: C9H8F2O
• Molecular Weight: 170.159
• European Community (EC) Number: 847-022-4
• DSSTox Substance ID: DTXSID50448736
• Nikkaji Number: J753.862F
• Mol file: 703-17-3.mol

Synonyms:2,2-DIFLUORO-1-PHENYL-1-PROPANONE;703-17-3;2,2-difluoro-1-phenylpropan-1-one;2,2-difluoro-1-phenyl-propan-1-one;SCHEMBL633283;alpha,alpha-Difluoropropiophenone;DTXSID50448736;LBHQLBHEQJJNQL-UHFFFAOYSA-N;AKOS026749692;EN300-1221127;F2167-4812

Chemical Property of 2,2-Difluoro-1-phenyl-1-propanone

Chemical Property:

• PSA: 17.07000
• LogP: 2.52450
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 170.05432120
• Heavy Atom Count: 12
• Complexity: 171

Purity/Quality:

2,2-Difluoro-1-phenyl-1-propanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,2-Difluoro-1-phenyl-1-propanone

There total 26 articles about 2,2-Difluoro-1-phenyl-1-propanone 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: 89.0%

4-(1-phenyl-propenyl)-morpholine (30085-70-2,39655-41-9,66217-92-3) → 1-fluoroethyl phenyl ketone (21120-36-5,88208-12-2) + 1-phenyl-2,2-difluoropropan-1-one (703-17-3)

Guidance literature:

With 4 A molecular sieve; Selectfluor; In acetonitrile; at -10 ℃;

DOI:10.1021/jo0506837

Reference yield: 85.0%

1-phenyl-1-trimethylsiloxypropene (37471-46-8) → 1-phenyl-2,2-difluoropropan-1-one (703-17-3)

Guidance literature:

With N-fluoro-N-(3,5-bis(trifluoromethyl)phenylsulfonyl)benzenesulfonamide; In 1,2-dichloro-ethane; at 50 ℃; for 24h; Inert atmosphere;

DOI:10.1002/chem.202101499

Reference yield: 65.0%

2-methyl-3-oxo-3-phenylpropionic acid (4767-01-5) → 1-fluoroethyl phenyl ketone (21120-36-5,88208-12-2) + 1-phenyl-2,2-difluoropropan-1-one (703-17-3)

Guidance literature:

With N-benzyl-N,N,N-triethylammonium chloride; potassium carbonate; Selectfluor; In N,N-dimethyl-formamide; at 10 ℃; for 12h;

DOI:10.1002/adsc.201500282

upstream raw materials:

2,2-dibromo-1-phenylpropan-1-one

1-Phenylprop-1-yne

methanol

1-phenyl-propan-1-one

Downstream raw materials:

(3,3-difluorobut-1-en-2-yl)benzene

(Z)-(2-fluorooct-2-en-3-yl)benzene

(E)-(2-fluorooct-2-en-3-yl)benzene

2,2-Difluoro-1-phenyl-1-propanol

Refernces

• 1、 -. "REACTIVE EXTRACTION OF WATER". Paragraph 0065-0067. . Retrieved 2020/04/09.
• 2、 Kosobokov, Mikhail D.,Levin, Vitalij V.,Struchkova, Marina I.,Dilman, Alexander D.. "Difluorohomologation of ketones". . p. 760 - 763. Retrieved 2015/03/05.