N-(1-Oxobutyl)-L-methionine

Base Information

• Chemical Name: N-(1-Oxobutyl)-L-methionine
• CAS No.: 54746-52-0
• Molecular Formula: C9H17 N O3 S
• Molecular Weight: 219.305
• Hs Code.: 2930909090
• European Community (EC) Number: 259-316-4
• DSSTox Substance ID: DTXSID10203207
• Nikkaji Number: J326.680J
• Wikidata: Q83076559
• Mol file: 54746-52-0.mol

Synonyms:N-(1-Oxobutyl)-L-methionine;EINECS 259-316-4;54746-52-0;N-butyryl-l-methionine;C9H17NO3S;SCHEMBL302152;DTXSID10203207;C9-H17-N-O3-S

Chemical Property of N-(1-Oxobutyl)-L-methionine

Chemical Property:

• Vapor Pressure: 9.65E-10mmHg at 25°C
• Boiling Point: 460.1°C at 760 mmHg
• PKA: 3.51±0.10(Predicted)
• Flash Point: 232°C
• PSA: 95.19000
• Density: 1.142g/cm³
• LogP: 1.94930
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 219.09291458
• Heavy Atom Count: 14
• Complexity: 197

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)NC(CCSC)C(=O)O
• Isomeric SMILES: CCCC(=O)N[C@@H](CCSC)C(=O)O

Technology Process of N-(1-Oxobutyl)-L-methionine

There total 2 articles about N-(1-Oxobutyl)-L-methionine 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:

L-methionine (63-68-3,26062-47-5,58576-49-1) + butyric acid (107-92-6) → N-butyryl-L-methionine (54746-52-0)

Guidance literature:

With adenosine monophosphate ligase SfaB from Streptomyces thioluteus; ATP; magnesium chloride; Cleland's reagent; In aq. buffer; at 30 ℃; for 6h; pH=8; Enzymatic reaction;

DOI:10.1002/anie.202010042

Reference yield:

L-methionine (63-68-3,26062-47-5,58576-49-1) + butyryl chloride (141-75-3) → N-butyryl-L-methionine (54746-52-0)

Guidance literature:

With water; sodium hydroxide; Cooling with ice;

DOI:10.1271/bbb.90081

Reference yield:

N-butyryl-L-methionine (54746-52-0) → L-methionine (63-68-3,26062-47-5,58576-49-1)

Guidance literature:

With recombinant Streptomyces mobaraensis aminoacylase; water; at 37 ℃; pH=7.5; aq. buffer; Enzymatic reaction;

DOI:10.1271/bbb.90081

upstream raw materials:

L-methionine

butyryl chloride

butyric acid

Downstream raw materials:

L-methionine

Refernces

• 1、 Koreishi, Mayuko,Nakatani, Yasuyuki,Ooi, Manami,Imanaka, Hiroyuki,Imamura, Koreyoshi,Nakanishi, Kazuhiro. "Purification, characterization, molecular cloning, and expression of a new aminoacylase from streptomyces mobaraensis that can hydrolyze N-(Middle/Long)-chain-fatty-acyl-L-amino acids as well as N-Short-chain-acyl-L- amino acids". experimental part. p. 1940 - 1947. Retrieved 2010/07/02.