3,3-Dichloro-5-phenyloxolan-2-one

Base Information

• Chemical Name: 3,3-Dichloro-5-phenyloxolan-2-one
• CAS No.: 76617-38-4
• Molecular Formula: C₁₀H₈Cl₂O₂
• Molecular Weight: 231.078
• European Community (EC) Number: 278-500-5
• UNII: NLR3YNS6L6
• DSSTox Substance ID: DTXSID90997950
• Nikkaji Number: J319.340C
• Mol file: 76617-38-4.mol

Synonyms:3,3-dichloro-5-phenyloxolan-2-one;76617-38-4;EINECS 278-500-5;3,3-Dichlorodihydro-5-phenylfuran-2(3H)-one;NLR3YNS6L6;DTXSID90997950;3,3-Dichloro-5-phenyltetrahydrofuran-2-one;3,3-Dichlorodihydro-5-phenyl-2(3H)-furanone;2(3H)-Furanone, 3,3-dichlorodihydro-5-phenyl-

Chemical Property of 3,3-Dichloro-5-phenyloxolan-2-one

Chemical Property:

• Vapor Pressure: 5.95E-06mmHg at 25°C
• Boiling Point: 379.2°C at 760 mmHg
• Flash Point: 170°C
• PSA: 26.30000
• Density: 1.4g/cm³
• LogP: 2.84850
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 229.9901349
• Heavy Atom Count: 14
• Complexity: 234

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(OC(=O)C1(Cl)Cl)C2=CC=CC=C2

Technology Process of 3,3-Dichloro-5-phenyloxolan-2-one

There total 2 articles about 3,3-Dichloro-5-phenyloxolan-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: 89.0%

2,2,4-trichloro-4-phenyl-butyric acid ethyl ester (57196-89-1) → 3,3-dichlorodihydro-5-phenyl-2(3H)-furanone (76617-38-4)

Guidance literature:

With hydrogenchloride; at 100 ℃; for 72h;

DOI:10.1016/j.tet.2004.06.066

Reference yield: 62.0%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + dichloro-acetic acid (79-43-6) → 3,3-dichlorodihydro-5-phenyl-2(3H)-furanone (76617-38-4)

Guidance literature:

With manganese triacetate; sodium dichloroacetate; In acetonitrile; at 95 - 100 ℃; for 48h;

DOI:10.3987/com-03-s(p)11

upstream raw materials:

styrene

dichloro-acetic acid

2,2,4-trichloro-4-phenyl-butyric acid ethyl ester

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