6-Chloropyran-2-one

Base Information

• Chemical Name: 6-Chloropyran-2-one
• CAS No.: 20357-65-7
• Molecular Formula: C5H3ClO2
• Molecular Weight: 130.531
• Hs Code.: 2932999099
• European Community (EC) Number: 623-658-6
• UNII: AWE47O9GBJ
• DSSTox Substance ID: DTXSID60466027
• Nikkaji Number: J100.419K
• Wikidata: Q82292396
• Mol file: 20357-65-7.mol

Synonyms:6-Chloropyran-2-one;20357-65-7;6-Chloropyran-2H-one;6-chloro-2-pyrone;2H-Pyran-2-one, 6-chloro-;6-chloro-2H-pyran-2-one;AWE47O9GBJ;6-chloro-pyran-2-one;UNII-AWE47O9GBJ;SCHEMBL5206705;6-Chloropyran-2H-one, 97%;DTXSID60466027;6-CHLOROPYRAN-2H-ONE 97;AKOS015916327;A853089;J-013237;2-(Cyclopent-2-enyl)-1,3-diphenylpropane-1,3-dione

Chemical Property of 6-Chloropyran-2-one

Chemical Property:

• Vapor Pressure: 0.035mmHg at 25°C
• Refractive Index: n20/D 1.5560(lit.)
• Boiling Point: 241.671 °C at 760 mmHg
• Flash Point: 125.407 °C
• PSA: 30.21000
• Density: 1.387 g/cm³
• LogP: 1.29320
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 129.9821570
• Heavy Atom Count: 8
• Complexity: 169

Purity/Quality:

97% ^*data from raw suppliers

6-CHLOROPYRAN-2H-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36-43
• Safety Statements: 26-36/37-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=O)OC(=C1)Cl

Technology Process of 6-Chloropyran-2-one

There total 2 articles about 6-Chloropyran-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: 82.0%

glutaconic acid (628-48-8) → 6-chloro-2H-pyran-2-one (20357-65-7)

Guidance literature:

With phosphorus pentachloride; at 100 ℃; for 0.166667h;

DOI:10.1016/S0040-4039(02)02600-X

Reference yield:

glutaconic acid (1724-02-3) + acetyl chloride (75-36-5) → 6-chloro-2H-pyran-2-one (20357-65-7)

Guidance literature:

With phosphorus trichloride;

Reference yield: 85.0%

6-chloro-2H-pyran-2-one (20357-65-7) + 1-Pentyne (627-19-0) → 6-pent-1-ynyl-pyran-2-one (24203-77-8)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; In benzene; at 20 ℃; for 21h;

DOI:10.1016/S0040-4039(02)02600-X

upstream raw materials:

glutaconic acid

acetyl chloride

glutaconic acid

Downstream raw materials:

6-pent-1-ynyl-pyran-2-one

6-phenylethynyl-pyran-2-one

(E)-diethyl glutaconate

6-pentyl-2H-pyran-2-one