1-(2,4-Difluorophenyl)propan-2-one

Base Information

• Chemical Name: 1-(2,4-Difluorophenyl)propan-2-one
• CAS No.: 274682-91-6
• Molecular Formula: C9H8 F2 O
• Molecular Weight: 170.159
• Hs Code.: 29147000
• European Community (EC) Number: 824-067-8
• DSSTox Substance ID: DTXSID80370551
• Wikidata: Q82157691
• Mol file: 274682-91-6.mol

Synonyms:1-(2,4-difluorophenyl)propan-2-one;274682-91-6;2,4-DIFLUOROPHENYLACETONE;2-Propanone, 1-(2,4-difluorophenyl)-;(2,4-difluorophenyl)propanone;SCHEMBL1699443;DTXSID80370551;XVHHDTNIOCSTLH-UHFFFAOYSA-N;1-(2,4-difluorophenyl)-2-propanone;2,4-difluorophenylacetone, AldrichCPR;AKOS011476894;1-(2,4-difluoro-phenyl)-propane-2-one;AS-58427;N12745;EN300-1240328;Z963397502

Chemical Property of 1-(2,4-Difluorophenyl)propan-2-one

Chemical Property:

• Refractive Index: 1.477-1.479
• Boiling Point: 201.3±25.0 °C(Predicted)
• PSA: 17.07000
• Density: 1.179±0.06 g/cm3(Predicted)
• LogP: 2.09630
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.7
• 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

2,4-Difluorophenylacetone 97% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CC1=C(C=C(C=C1)F)F

Technology Process of 1-(2,4-Difluorophenyl)propan-2-one

There total 1 articles about 1-(2,4-Difluorophenyl)propan-2-one 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: 82.9%

Isopropenyl acetate (108-22-5) + 2,4-difluorophenylamine (367-25-9,76563-56-9) → 1-(2,4-difluorophenyl)-2-propanone (274682-91-6)

Guidance literature:

2,4-difluorophenylamine; With sulfuric acid; sodium nitrite; In water; at 0 - 15 ℃; for 0.75h;

Isopropenyl acetate; With copper(II) sulfate; sodium sulfite; In water; at 10 - 15 ℃; for 3h;

Reference yield: 68.0%

1-(2,4-difluorophenyl)-2-propanone (274682-91-6) + cyclopropylmagnesium bromide (23719-80-4) → 2-cyclopropyl-1-(2,4-difluorophenyl)propan-2-ol

Guidance literature:

In tetrahydrofuran; at -78 - 20 ℃; for 1h; Inert atmosphere;

Reference yield:

1-(2,4-difluorophenyl)-2-propanone (274682-91-6) → (2R,3R)-2-(2,4-Difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2,3-butanediol (132507-89-2,132507-94-9,135270-05-2,135270-11-0,135272-36-5,133775-25-4)

Guidance literature:

Multi-step reaction with 4 steps

1.1: piperidine; acetic acid / methanol; water / 10 h / 60 °C

2.1: scandium tris(trifluoromethanesulfonate); C₃₇H₅₆N₄O₄ / isopropyl alcohol / 1 h / 30 °C

2.2: 35 h / 30 °C

3.1: potassium carbonate / acetonitrile / 10 h / 70 °C / Molecular sieve

4.1: cobalt(II) chloride / tetrahydrofuran / 0.33 h / 30 °C

4.2: 4 h / -78 °C

With piperidine; C₃₇H₅₆N₄O₄; potassium carbonate; acetic acid; cobalt(II) chloride; scandium tris(trifluoromethanesulfonate); In tetrahydrofuran; methanol; water; isopropyl alcohol; acetonitrile;

DOI:10.1021/acs.orglett.1c02588

upstream raw materials:

Isopropenyl acetate

2,4-difluorophenylamine

Downstream raw materials:

(2R,3R)-2-(2,4-difluorophenyl)-3-(4-methylenepiperidine-1-yl)-1-(1H-1,2,4-triazole-1-yl)-butane-2-ol

(2R,3R)-2-(2,4-Difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2,3-butanediol

1-(((2R,3S)-2-(2,4-difluorophenyl)-3-methyloxiran-2-yl)-methyl)-1H-1,2,4-triazole