1,1-Dioxido-2,3-dihydro-3-thienyl acetate

Base Information

• Chemical Name: 1,1-Dioxido-2,3-dihydro-3-thienyl acetate
• CAS No.: 86597-94-6
• Molecular Formula: C6H8O4S
• Molecular Weight: 176.1903
• NSC Number: 160587

Synonyms:1,1-Dioxido-2,3-dihydro-3-thienyl acetate;86597-94-6;NSC160587;NSC 160587;(1,1-dioxo-2,3-dihydrothiophen-3-yl) acetate;4-acetoxy-2-sulfolene;STL454408;AKOS001668272;AKOS016047105;NSC-160587;1,1-dioxido-2,3-dihydrothiophen-3-yl acetate

Chemical Property of 1,1-Dioxido-2,3-dihydro-3-thienyl acetate

Chemical Property:

• Vapor Pressure: 4.78E-05mmHg at 25°C
• Boiling Point: 349.2°Cat760mmHg
• Flash Point: 165°C
• Density: 1.39g/cm³
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 176.01432991
• Heavy Atom Count: 11
• Complexity: 282

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)OC1CS(=O)(=O)C=C1

Technology Process of 1,1-Dioxido-2,3-dihydro-3-thienyl acetate

There total 5 articles about 1,1-Dioxido-2,3-dihydro-3-thienyl 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: 100.0%

vinyl acetate (108-05-4,9003-20-7) + 4-hydroxy-2-sulfolene (6211-59-2) → 4-acetoxy-2-thiolene 1,1-dioxide (86597-94-6)

Guidance literature:

With Novozym 435(R); In acetonitrile; at 30 ℃; for 16h;

DOI:10.1016/j.tetlet.2006.05.153

Reference yield:

rac-3-hydroxy-4-chlorotetrahydrothiophene-1,1-dioxide (20688-38-4,49592-61-2,60696-38-0) + acetic anhydride (108-24-7) → 4-acetoxy-2-thiolene 1,1-dioxide (86597-94-6)

Guidance literature:

With potassium acetate; acetic acid;

DOI:10.1021/jo01093a612

Reference yield:

trans-3-bromo-4-acetoxysulfolane (74292-81-2) → 4-acetoxy-2-thiolene 1,1-dioxide (86597-94-6)

Guidance literature:

With water; barium carbonate;

upstream raw materials:

rac-3-hydroxy-4-chlorotetrahydrothiophene-1,1-dioxide

acetic anhydride

trans-3-bromo-4-acetoxysulfolane

vinyl acetate

Downstream raw materials:

Acetic acid 6,6-dioxo-3-(2,4,6-trimethyl-phenyl)-4,5,6,6a-tetrahydro-3aH-6λ⁶-thieno[3,2-d]isoxazol-4-yl ester

Acetic acid 4,4-dioxo-3-(2,4,6-trimethyl-phenyl)-4,5,6,6a-tetrahydro-3aH-4λ⁶-thieno[2,3-d]isoxazol-6-yl ester

Acetic acid 6,6-dioxo-3-phenyl-4,5,6,6a-tetrahydro-3aH-6λ⁶-thieno[3,2-d]isoxazol-4-yl ester

Acetic acid 4,4-dioxo-3-phenyl-4,5,6,6a-tetrahydro-3aH-4λ⁶-thieno[2,3-d]isoxazol-6-yl ester

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