D,L-Buthionine

Base Information

• Chemical Name: D,L-Buthionine
• CAS No.: 4378-14-7
• Deprecated CAS: 3343-64-4
• Molecular Formula: C8H17NO2S
• Molecular Weight: 191.294
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID60955062
• Mol file: 4378-14-7.mol

Synonyms:buthionine;buthionine, (D)-isomer;buthionine, (DL)-isomer;buthionine, (L)-isomer

Chemical Property of D,L-Buthionine

Chemical Property:

• Vapor Pressure: 0.000148mmHg at 25°C
• Melting Point: 238-243oC
• Boiling Point: 335.7°Cat760mmHg
• PKA: 2.23±0.10(Predicted)
• Flash Point: 156.8°C
• PSA: 88.62000
• Density: 1.104g/cm³
• LogP: 2.02200
• Storage Temp.: -20°C Freezer
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 191.09799996
• Heavy Atom Count: 12
• Complexity: 130

Purity/Quality:

98% ^*data from raw suppliers

D,L-Buthionine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCSCCC(C(=O)O)N
• Uses: (R,S)-Homocysteine thioether

Technology Process of D,L-Buthionine

There total 5 articles about D,L-Buthionine 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-butylmercapto-ethyl)-phthalimido-malonic acid diethyl ester → S-butyl-D,L-homocysteine (4378-14-7,13073-22-8,3343-64-4)

Guidance literature:

With sodium hydroxide; nachfolgendes Behandeln mit wss.HCl;

DOI:10.1021/ja01123a502

Reference yield:

butyl-(2-chloro-ethyl)-sulfide (4303-40-6) → S-butyl-D,L-homocysteine (4378-14-7,13073-22-8,3343-64-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 200 °C

2: aq.-ethanolic NaOH / nachfolgendes Behandeln mit wss.HCl

With sodium hydroxide;

DOI:10.1021/ja01123a502

Reference yield:

5-(2-butylmercapto-ethyl)-imidazolidine-2,4-dione (98881-19-7) → S-butyl-D,L-homocysteine (4378-14-7,13073-22-8,3343-64-4)

Guidance literature:

With sodium hydroxide;

upstream raw materials:

5-(2-butylmercapto-ethyl)-imidazolidine-2,4-dione

butyl-(2-chloro-ethyl)-sulfide

Downstream raw materials:

D-buthionine

S-butyl-L-homocysteine

C₁₃H₂₅NO₄S

D,L-n-buthionine

Refernces

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