N-Acetyl-DL-ethionine

Base Information

• Chemical Name: N-Acetyl-DL-ethionine
• CAS No.: 57271-88-2
• Molecular Formula: C8H15NO3S
• Molecular Weight: 205.278
• DSSTox Substance ID: DTXSID10369216
• Mol file: 57271-88-2.mol

Synonyms:N-ACETYL-DL-ETHIONINE;57271-88-2;2-acetamido-4-ethylsulfanylbutanoic acid;N-acetyl(ethyl)homocysteine;2-acetamido-4-(ethylsulfanyl)butanoic acid;SCHEMBL468741;DTXSID10369216;AKOS013460755;FT-0629810;EN300-1298704

Chemical Property of N-Acetyl-DL-ethionine

Chemical Property:

• Vapor Pressure: 1.44E-09mmHg at 25°C
• Melting Point: 91 °C
• Refractive Index: 1.507
• Boiling Point: 455.6°C at 760 mmHg
• PKA: 3.53±0.10(Predicted)
• Flash Point: 229.3°C
• PSA: 91.70000
• Density: 1.169g/cm³
• LogP: 1.10980
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 205.07726451
• Heavy Atom Count: 13
• Complexity: 184

Purity/Quality:

98%Min ^*data from raw suppliers

N-ACETYL-DL-ETHIONINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCSCCC(C(=O)O)NC(=O)C

Technology Process of N-Acetyl-DL-ethionine

There total 3 articles about N-Acetyl-DL-ethionine 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: 96.0%

ethyl bromide (74-96-4) + N-acetyl-DL-homocysteinethiolactone (1195-16-0,768351-04-8,17896-21-8) → N-acetyl-rac-ethionine (57271-88-2)

Guidance literature:

With potassium carbonate; In water; for 18h;

DOI:10.1021/jacs.9b07223

Reference yield: 96.0%

ethionine (67-21-0) + acetic anhydride (108-24-7) → N-acetyl-rac-ethionine (57271-88-2)

Guidance literature:

at 15 - 30 ℃; for 4h;

DOI:10.1016/S0957-4166(97)00400-X

Reference yield:

→ N-acetyl-rac-ethionine (57271-88-2)

Guidance literature:

upstream raw materials:

ethionine

acetic anhydride

ethyl bromide

N-acetyl-DL-homocysteinethiolactone

Downstream raw materials:

DL-ethionine

Refernces

• 1、 -. "Palatability of aquaculture feed". . . Retrieved 2008/06/13.