3-Oxocyclobutyl acetate

Base Information

• Chemical Name: 3-Oxocyclobutyl acetate
• CAS No.: 63930-59-6
• Molecular Formula: C6H8O3
• Molecular Weight: 128.128
• Hs Code.: 2915390090
• European Community (EC) Number: 814-011-0
• DSSTox Substance ID: DTXSID70472598
• Nikkaji Number: J2.057.405D
• Wikidata: Q82301586
• Mol file: 63930-59-6.mol

Synonyms:3-OXOCYCLOBUTYL ACETATE;63930-59-6;(3-oxocyclobutyl) Acetate;MFCD11976057;3-Acetoxycyclobutanone;3-OXOCYCLOBUTYLACETATE;SCHEMBL1795613;DTXSID70472598;FWHLIVHQAGFBOA-UHFFFAOYSA-N;AKOS016000412;DS-5418;PB31624;SY025795;CS-0045537;FT-0686174;A867986

Chemical Property of 3-Oxocyclobutyl acetate

Chemical Property:

• Boiling Point: 188.0±33.0 °C(Predicted)
• PSA: 43.37000
• Density: 1.16±0.1 g/cm3(Predicted)
• LogP: 0.28100
• Storage Temp.: 2-8°C
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 128.047344113
• Heavy Atom Count: 9
• Complexity: 142

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-oxocyclobutylacetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1CC(=O)C1

Technology Process of 3-Oxocyclobutyl acetate

There total 3 articles about 3-Oxocyclobutyl 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: 45.0%

2,2-dichloro-3-acetoxycyclobutanone → (3-oxocyclobutyl) acetate (63930-59-6)

Guidance literature:

With acetic acid; zinc; for 16h; Ambient temperature;

Reference yield: 25.0%

vinyl acetate (108-05-4,9003-20-7) + trifluoroacetyl chloride (76-02-8) → (3-oxocyclobutyl) acetate (63930-59-6)

Guidance literature:

vinyl acetate; trifluoroacetyl chloride; With copper; zinc; trichlorophosphate; In acetic acid methyl ester; at 18 - 23 ℃; for 12h;

With acetic acid; zinc; In acetic acid methyl ester; at 0 - 23 ℃; Further stages.;

DOI:10.1016/j.tetlet.2008.05.102

Reference yield:

→ (3-oxocyclobutyl) acetate (63930-59-6)

Guidance literature:

3-Acetoxycyclobutenon 5, H2;

DOI:10.1002/hlca.19770600328

upstream raw materials:

vinyl acetate

trifluoroacetyl chloride

Downstream raw materials:

(S)-β-acetoxy-γ-butyrolactone

Refernces

• 1、 Dehmlow, Eckehard V.,Bueker, Sabine. "Stereoselective Synthesis of 3-Substituted Cyclobutanols and Products Derived Therefrom". . p. 2759 - 2764. Retrieved 2007/10/02.