1-Chloro-1,1-difluoropentane-2,4-dione

Base Information

• Chemical Name: 1-Chloro-1,1-difluoropentane-2,4-dione
• CAS No.: 2375-76-0
• Molecular Formula: C5H5ClF2O2
• Molecular Weight: 170.543
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID20371401
• Wikidata: Q82158719
• Mol file: 2375-76-0.mol

Synonyms:2375-76-0;1-Chloro-1,1-difluoro-2,4-pentanedione;1-chloro-1,1-difluoropentane-2,4-dione;CHLORODIFLUOROACETYLACETONE;SCHEMBL5664808;DTXSID20371401;1-Chloro-1,1-difluoroacetylacetone;BBL027977;MFCD00041520;STK397332;AKOS000308508;VS-08636;CS-0224465;FT-0607574;EN300-119587

Chemical Property of 1-Chloro-1,1-difluoropentane-2,4-dione

Chemical Property:

• Vapor Pressure: 3.15mmHg at 25°C
• Refractive Index: 1.4345
• Boiling Point: 154.6 °C at 760 mmHg
• PKA: 6.79±0.46(Predicted)
• Flash Point: 47.3 °C
• PSA: 34.14000
• Density: 1.336 g/cm³
• LogP: 1.36620
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 169.9946134
• Heavy Atom Count: 10
• Complexity: 167

Purity/Quality:

97% ^*data from raw suppliers

1-Chloro-1,1-difluoropentane-2,4-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F
• Hazard Codes: F
• Statements: 10
• Safety Statements: 16-23-24/25

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Chloro-1,1-difluoropentane-2,4-dione

There total 1 articles about 1-Chloro-1,1-difluoropentane-2,4-dione 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:

metyhyl chlorodifluoroacetate (1514-87-0) + acetone (67-64-1) → 1-chloro-1,1-difluoropentane-2,4-dione (2375-76-0)

Guidance literature:

With sodium methylate; In diethyl ether;

DOI:10.1021/jo01029a042

Reference yield: 88.0%

1-chloro-1,1-difluoropentane-2,4-dione (2375-76-0) + phenylhydrazine (100-63-0) → 3-(chlorodifluoromethyl)-5-methyl-1-phenyl-1H-pyrazole (1316284-95-3)

Guidance literature:

With acetic acid; hydrazine; at 20 ℃; for 2h; regioselective reaction;

DOI:10.1016/j.tet.2011.05.085

Reference yield: 87.0%

1-chloro-1,1-difluoropentane-2,4-dione (2375-76-0) + 5-amino-1-cyclohexyl-1H-pyrrole-3-carbonitrile (59661-26-6) → 4-(chlorodifluoromethyl)-1-cyclohexyl-6-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile (1316284-21-5)

Guidance literature:

With acetic acid; regioselective reaction; Reflux;

DOI:10.1016/j.tet.2011.05.085

upstream raw materials:

metyhyl chlorodifluoroacetate

acetone

Downstream raw materials:

1-choro-1,1-difluoro-3-ethoxymethylene-2,4-pentanedione

3-(triacetyl-β-D-ribofuranosyl)-7-[chloro(difluoro)methyl]-5-methyl-3H-imidazo[4,5-b]pyridine

3-(β-D-ribofuranosyl)-7-(chloro(difluoro)methyl)-5-methyl-3H-imidazo[4,5-b]pyridine

7-[chloro(difluoro)methyl]-3-(4-methoxybenzyl)-5-methyl-3H-imidazo[4,5-b]pyridine