CID 1551339

Base Information

• Chemical Name: CID 1551339
• CAS No.: 14486-05-6
• Molecular Formula: C8H16 N2 O3 S
• Molecular Weight: 220.293
• Hs Code.: 2930909090
• Mol file: 14486-05-6.mol

Synonyms:

Chemical Property of CID 1551339

Chemical Property:

• Vapor Pressure: 9.56E-11mmHg at 25°C
• Boiling Point: 485.2°Cat760mmHg
• Flash Point: 247.3°C
• PSA: 117.72000
• Density: 1.226g/cm³
• LogP: 0.74730
• Storage Temp.: -15°C
• XLogP3: -2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 220.08816355
• Heavy Atom Count: 14
• Complexity: 205

Purity/Quality:

98%min ^*data from raw suppliers

L-Alanyl-L-Methionine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)NC(CCSC)C(=O)[O-])[NH3+]
• Isomeric SMILES: C[C@@H](C(=O)N[C@@H](CCSC)C(=O)[O-])[NH3+]

Technology Process of CID 1551339

There total 1 articles about CID 1551339 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: 76.0%

(S)-2-((S)-2-Amino-propionylamino)-4-mercapto-butyric acid + methyl iodide (74-88-4) → L-alanyl-L-methionine (14486-05-6,82080-04-4)

Guidance literature:

With ammonia; In methanol; at 0 - 20 ℃; for 2.5h;

DOI:10.1055/s-2003-38361

Reference yield: 73.0%

benzoic acid N-hydroxysuccinimide ester (23405-15-4) + L-alanyl-L-methionine (14486-05-6,82080-04-4) → benzoylalanylmethionine

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In 1,4-dioxane; water; N,N-dimethyl-formamide; for 5.5h;

DOI:10.1002/psc.2713

Reference yield:

benzoic acid N-hydroxysuccinimide ester (23405-15-4) + L-alanyl-L-methionine (14486-05-6,82080-04-4) → N-benzoyl-L-alanine (2198-64-3,90988-29-7) + Bz-Ala-NH2 (67711-04-0) + Bz-Ala-Met(SO)-OH

Guidance literature:

Multi-step reaction with 2 steps

1: N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide; water; 1,4-dioxane / 5.5 h

2: ascorbic acid / aq. acetate buffer / 48 h / 80 °C / pH 6

With N-ethyl-N,N-diisopropylamine; ascorbic acid; In 1,4-dioxane; water; N,N-dimethyl-formamide;

DOI:10.1002/psc.2713

upstream raw materials:

methyl iodide

Downstream raw materials:

N-benzoyl-L-alanine

Bz-Ala-NH₂

Refernces