Furfuryl thiopropionate

Base Information

• Chemical Name: Furfuryl thiopropionate
• CAS No.: 59020-85-8
• Molecular Formula: C8H10O2S
• Molecular Weight: 170.232
• Hs Code.: 29321900
• European Community (EC) Number: 261-562-2
• UNII: U05MDN4A54
• DSSTox Substance ID: DTXSID3069300
• Nikkaji Number: J308.592I
• Wikidata: Q27290509
• Metabolomics Workbench ID: 47915
• Mol file: 59020-85-8.mol

Synonyms:Furfuryl thiopropionate;59020-85-8;S-Furfuryl thiopropionate;S-(furan-2-ylmethyl) propanethioate;Propanethioic acid, S-(2-furanylmethyl) ester;S-Furfuryl propanethioate;S-(2-Furanylmethyl) propanethioate;Furfurylthiol propionate;S-(2-Furylmethyl) propanethioate;FEMA No. 3347;U05MDN4A54;UNII-U05MDN4A54;SCHEMBL1532547;DTXSID3069300;FEMA 3347;Furfuryl thiopropionate, >=98%;CHEBI:173777;S-furan-2-ylmethyl propanethioate;S-(uran-2-ylmethyl) propanethioate;Thiopropionic Acid S-Furfuryl Ester;EINECS 261-562-2;S-(2-Furylmethyl) propanethioate #;MFCD00040264;FURFURYL THIOPROPIONATE [FHFI];AKOS024375454;SB60968;AS-62200;Thiopropanoic acid S-(2-furylmethyl) ester;1-[(furan-2-ylmethyl)sulfanyl]propan-1-one;CS-0152636;F0578;FT-0626581;D90683;Q-100680;Q27290509

Chemical Property of Furfuryl thiopropionate

Chemical Property:

• Vapor Pressure: 0.0523mmHg at 25°C
• Refractive Index: n20/D 1.518(lit.)
• Boiling Point: 234.6 °C at 760 mmHg
• Flash Point: 97.8 °C
• PSA: 55.51000
• Density: 1.141g/cm³
• LogP: 2.44940
• Storage Temp.: 2-8°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 170.04015073
• Heavy Atom Count: 11
• Complexity: 136

Purity/Quality:

99% ^*data from raw suppliers

Furfuryl thiopropionate ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)SCC1=CC=CO1

Technology Process of Furfuryl thiopropionate

There total 2 articles about Furfuryl thiopropionate 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:

2-thiolomethyl-furan (98-02-2,175236-33-6) + propionyl chloride (79-03-8) → furfuryl thiopropionate (59020-85-8)

Guidance literature:

With triethylamine; In dichloromethane;

Reference yield:

2-thiolomethyl-furan (98-02-2,175236-33-6) + propionic acid anhydride (123-62-6) → furfuryl thiopropionate (59020-85-8)

Guidance literature:

2-thiolomethyl-furan; With sodium hydroxide; In water; at 40 - 50 ℃; Large scale;

propionic acid anhydride; at 30 - 40 ℃; for 0.5h; pH=7 - 8; Large scale;

upstream raw materials:

2-thiolomethyl-furan

propionyl chloride

propionic acid anhydride

Refernces

• 1、 -. "High percentage beta-yield synthesis of carbapenem intermediates". . . Retrieved 2008/06/13.