N-(2-oxothiolan-3-yl)butanamide

Base Information

• Chemical Name: N-(2-oxothiolan-3-yl)butanamide
• CAS No.: 39837-08-6
• Molecular Formula: C8H13NO2S
• Molecular Weight: 215.31
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID20403190
• Mol file: 39837-08-6.mol

Synonyms:N-(2-oxothiolan-3-yl)butanamide;N-Butyryl-DL-homocysteine thiolactone;39837-08-6;SCHEMBL804838;DTXSID20403190;HY-W141788;CS-0201585;EN300-6730516;N-Butyryl-DL-homocysteine thiolactone, >=97.0% (HPLC)

Chemical Property of N-(2-oxothiolan-3-yl)butanamide

Chemical Property:

• PSA: 74.96000
• Density: 1.17
• LogP: 1.77510
• Storage Temp.: 2-8°C
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 187.06669983
• Heavy Atom Count: 12
• Complexity: 194

Purity/Quality:

98% ^*data from raw suppliers

N-BUTYRYL-DL-HOMOCYSTEINE THIOLACTONE 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)NC1CCSC1=O

Technology Process of N-(2-oxothiolan-3-yl)butanamide

There total 3 articles about N-(2-oxothiolan-3-yl)butanamide 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: 20.0%

L-homocysteine thiolactone (2338-04-7,10593-85-8,14007-10-4,130548-06-0) + butyric acid (107-92-6) → (S)-N-butyryl homocysteine thiolactone (202284-85-3,39837-08-6)

Guidance literature:

With N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; In water;

DOI:10.1246/cl.2001.314

Reference yield: 15.0%

D-Homocysteine thiolactone (130548-06-0) + butyric acid (107-92-6) → N-(2-oxo-tetrahydro-thiophen-3-yl)-butyramide (39837-08-6)

Guidance literature:

With N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; In water;

DOI:10.1246/cl.2001.314

Reference yield:

L-homocysteine thiolactone hydrochloride (31828-68-9) + butyric acid (107-92-6) → (S)-N-butyryl homocysteine thiolactone (202284-85-3,39837-08-6)

Guidance literature:

With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In dichloromethane; at 20 ℃; for 14h;

DOI:10.1016/j.bmc.2011.06.071

upstream raw materials:

L-homocysteine thiolactone

butyric acid

L-homocysteine thiolactone hydrochloride

D-Homocysteine thiolactone