86597-94-6

Basic information

• Product Name: 1,1-dioxido-2,3-dihydrothiophen-3-yl acetate
• Synonyms: 1,1-Dioxido-2,3-dihydro-3-thienyl acetate; 1,1-Dioxido-2,3-dihydrothiophen-3-yl acetate; 3-thiopheneol, 2,3-dihydro-, acetate, 1,1-dioxide
• CAS NO: 86597-94-6
• Molecular Formula: C₆H₈O₄S
• Molecular Weight: 176.1903
• Mol File: 86597-94-6.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 349.2°C at 760 mmHg
• Flash Point: 165°C
• Density: 1.39g/cm³
• Vapor Pressure: 4.78E-05mmHg at 25°C
• Refractive Index: 1.517
• CAS DataBase Reference: 1,1-dioxido-2,3-dihydrothiophen-3-yl acetate(CAS DataBase Reference)
• NIST Chemistry Reference: 1,1-dioxido-2,3-dihydrothiophen-3-yl acetate(86597-94-6)
• EPA Substance Registry System: 1,1-dioxido-2,3-dihydrothiophen-3-yl acetate(86597-94-6)

Safety Data

• Hazardous Substances Data: 86597-94-6(Hazardous Substances Data)

Usage

Physical state

Colorless liquid

Odor

Pungent

Usage

Synthetic intermediate in organic chemistry

Derivation

Reaction of thiophene with peroxyacetic acid

Applications

a. Synthesis of pharmaceuticals
b. Synthesis of agrochemicals
c. Synthesis of fine chemicals
d. Production of flavors and fragrances

Chemical reactivity

Ability to undergo various chemical reactions

Value

Versatile building block for the development of numerous chemical products

Upstream product

• 20688-38-4 rac-3-hydroxy-4-chlorotetrahydrothiophene-1,1-dioxide 
• 108-24-7 acetic anhydride 
• 74292-81-2 trans-3-bromo-4-acetoxysulfolane 
• 108-05-4 vinyl acetate 
• 6211-59-2 4-hydroxy-2-sulfolene 

Downstream Products

• 86597-98-0 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 
• 86597-97-9 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 
• 86597-96-8 Acetic acid 6,6-dioxo-3-phenyl-4,5,6,6a-tetrahydro-3aH-6λ⁶-thieno[3,2-d]isoxazol-4-yl ester 
• 86597-95-7 Acetic acid 4,4-dioxo-3-phenyl-4,5,6,6a-tetrahydro-3aH-4λ⁶-thieno[2,3-d]isoxazol-6-yl ester 

Relevant articles and documents

Enzymatic kinetic resolution of 1,1-dioxo-2,3-dihydro-1H-1λ6-thiophen-3-ol via temporary derivatisation

Following the thio-conjugate addition of (±)-9, its enantiomers were extremely efficiently discriminated using Novozym 435. The thio-differentiating unit may then be removed either under reductive conditions, using Raney nickel, or following an