3,3-Dichlorooxan-2-yl acetate

Base Information

• Chemical Name: 3,3-Dichlorooxan-2-yl acetate
• CAS No.: 141942-54-3
• Molecular Formula: C₇H₁₀Cl₂O₃
• Molecular Weight: 213.061
• DSSTox Substance ID: DTXSID40369249
• Mol file: 141942-54-3.mol

Synonyms:3,3-dichlorooxan-2-yl acetate;141942-54-3;(3,3-dichlorooxan-2-yl) acetate;2-ACETOXY-3,3-DICHLOROTETRAHYDROPYRAN;2-ACETOXY-3,3-DICHLOROTETRAHYDROPYRAN, 96;2H-Pyran-2-ol, 3,3-dichlorotetrahydro-, 2-acetate;DTXSID40369249;FT-0732848

Chemical Property of 3,3-Dichlorooxan-2-yl acetate

Chemical Property:

• Vapor Pressure: 0.00357mmHg at 25°C
• Refractive Index: 1.4741 (estimate)
• Boiling Point: 120-121°C/11mmHg
• Flash Point: 120.8°C
• PSA: 35.53000
• Density: 1.33g/cm³
• LogP: 1.85990
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 212.0006996
• Heavy Atom Count: 12
• Complexity: 182

Purity/Quality:

98%Min ^*data from raw suppliers

2-ACETOXY-3,3-DICHLOROTETRAHYDROPYRAN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1C(CCCO1)(Cl)Cl

Technology Process of 3,3-Dichlorooxan-2-yl acetate

There total 3 articles about 3,3-Dichlorooxan-2-yl acetate 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: 92.0%

2,3,3-trichloro-tetrahydropyran (63027-88-3) + acetic acid (64-19-7,77671-22-8) → 2-acetoxy-3,3-dichlorotetrahydropyran (141942-54-3)

Guidance literature:

With sodium acetate; acetic anhydride; at 110 - 120 ℃; for 1h;

Reference yield:

2,3,3-trichloro-tetrahydropyran (63027-88-3) + sodium acetate (127-09-3) → 2-acetoxy-3,3-dichlorotetrahydropyran (141942-54-3)

Guidance literature:

With acetic acid;

Reference yield:

3,3-dichloro-2-hydroxytetrahydropyran (76043-70-4) + acetic anhydride (108-24-7) → 2-acetoxy-3,3-dichlorotetrahydropyran (141942-54-3)

Guidance literature:

upstream raw materials:

3,3-dichloro-2-hydroxytetrahydropyran

acetic anhydride

2,3,3-trichloro-tetrahydropyran

sodium acetate

Downstream raw materials:

5-acetoxy-2,2-dichloropentanal

1,1,5-triacetoxy-2,2-dichloropentane