4-(Dichloromethyl)-2(5H)-furanone

Base Information

• Chemical Name: 4-(Dichloromethyl)-2(5H)-furanone
• CAS No.: 125974-00-7
• Molecular Formula: C₅H₄Cl₂O₂
• Molecular Weight: 166.992
• DSSTox Substance ID: DTXSID70155016
• Nikkaji Number: J313.410E
• Wikidata: Q83022585
• Mol file: 125974-00-7.mol

Synonyms:4-(Dichloromethyl)-2(5H)-furanone;125974-00-7;3-(dichloromethyl)-2H-furan-5-one;2(5H)-Furanone, 4-(dichloromethyl)-;DTXSID70155016;InChI=1/C5H4Cl2O2/c6-5(7)3-1-4(8)9-2-3/h1,5H,2H

Chemical Property of 4-(Dichloromethyl)-2(5H)-furanone

Chemical Property:

• Vapor Pressure: 0.00686mmHg at 25°C
• Boiling Point: 270.4°Cat760mmHg
• Flash Point: 130.4°C
• PSA: 26.30000
• Density: 1.526g/cm³
• LogP: 1.27330
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 165.9588348
• Heavy Atom Count: 9
• Complexity: 162

Purity/Quality:

4-(dichloromethyl)-2(5H)-Furanone 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(=CC(=O)O1)C(Cl)Cl

Technology Process of 4-(Dichloromethyl)-2(5H)-furanone

There total 1 articles about 4-(Dichloromethyl)-2(5H)-furanone 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:

4-formylfuran-1(5H)-one (125973-97-9) → 4-(Dichloromethyl)-2(5H)-furanone (125974-00-7)

Guidance literature:

With phosphorus pentachloride; In dichloromethane; for 0.266667h; Ambient temperature;

DOI:10.1021/jo00296a053

Reference yield:

4-(Dichloromethyl)-2(5H)-furanone (125974-00-7) → 4-(Dichloromethyl)-5-hydroxy-2(5H)-furanone (125974-07-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 81 percent / NBS / CCl₄ / 0.58 h / Irradiation

2: 43 percent / silver acetate / acetone; H₂O / 13 h

With N-Bromosuccinimide; silver(I) acetate; In tetrachloromethane; water; acetone;

DOI:10.1021/jo00296a053

upstream raw materials:

4-formylfuran-1(5H)-one

Downstream raw materials:

4-(Dichloromethyl)-5-hydroxy-2(5H)-furanone