2-Methylfuran-3-thiol acetate

Base Information

• Chemical Name: 2-Methylfuran-3-thiol acetate
• CAS No.: 55764-25-5
• Molecular Formula: C₇H₈O₂S
• Molecular Weight: 156.205
• European Community (EC) Number: 259-801-0
• UNII: 7277JEE7AF
• DSSTox Substance ID: DTXSID5069047
• Nikkaji Number: J296.492I
• Wikidata: Q27266033
• Metabolomics Workbench ID: 45303
• Mol file: 55764-25-5.mol

Synonyms:3-(Acetylthio)-2-methylfuran;3-Acetylthio-2-methylfuran;

Chemical Property of 2-Methylfuran-3-thiol acetate

Chemical Property:

• Appearance/Colour: clear colorless to light brown liquid
• Vapor Pressure: 0.211mmHg at 25°C
• Refractive Index: n20/D 1.520
• Boiling Point: 208.7 °C at 760 mmHg
• Flash Point: 80 °C
• PSA: 55.51000
• Density: 1.18 g/cm³
• LogP: 2.22660
• Storage Temp.: 0-6°C
• Water Solubility.: insoluble
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 156.02450067
• Heavy Atom Count: 10
• Complexity: 136

Purity/Quality:

99% ^*data from raw suppliers

S-(2-Methyl-3-furyl) Thioacetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): XiXn
• Hazard Codes: Xi,Xn
• Statements: 36/38-41-37/38-22
• Safety Statements: 37/39-26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CO1)SC(=O)C

Technology Process of 2-Methylfuran-3-thiol acetate

There total 2 articles about 2-Methylfuran-3-thiol 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: 90.0%

acetic anhydride (108-24-7) + 2-methyl-3-(2-(2-methylfuran-3-yl)disulfanyl)furan (28588-75-2) → S-2-methylfuran-3-yl ethanethioate (55764-25-5)

Guidance literature:

With rongalite; cesium fluoride; In water; N,N-dimethyl-formamide; at 20 ℃; for 0.333333h;

DOI:10.1016/j.tet.2010.07.023

Reference yield:

acetic acid (64-19-7,77671-22-8) + 2-methylfuran-3-thiol (28588-74-1) → S-2-methylfuran-3-yl ethanethioate (55764-25-5)

Guidance literature:

DOI:10.1021/jf00046a032

Reference yield: 80.0%

S-2-methylfuran-3-yl ethanethioate (55764-25-5) + [(difluoroiodomethyl)sulfonyl]benzene (802919-90-0) → C14H12F2O4S2 (1609470-27-0)

Guidance literature:

With dipotassium hydrogenphosphate; tris(bipyridine)ruthenium(II) dichloride hexahydrate; In dichloromethane; at 40 ℃; for 24h; Sealed tube; Inert atmosphere; Irradiation;

DOI:10.1021/ol501094z

upstream raw materials:

acetic acid

2-methylfuran-3-thiol

acetic anhydride

2-methyl-3-(2-(2-methylfuran-3-yl)disulfanyl)furan

Downstream raw materials:

C₁₄H₁₂F₂O₄S₂