3-Oxazolidinecarboxylic acid, 4-[2-(methylthio)ethyl]-2,5-dioxo-, 9H-fluoren-9-ylmethyl ester, (S)-

Base Information

• Chemical Name: 3-Oxazolidinecarboxylic acid, 4-[2-(methylthio)ethyl]-2,5-dioxo-, 9H-fluoren-9-ylmethyl ester, (S)-
• CAS No.: 129288-42-2
• Molecular Formula: C21H19NO5S
• Molecular Weight: 397.44
• DSSTox Substance ID: DTXSID501114647
• Mol file: 129288-42-2.mol

Synonyms:129288-42-2;DTXSID501114647;3-Oxazolidinecarboxylic acid, 4-[2-(methylthio)ethyl]-2,5-dioxo-, 9H-fluoren-9-ylmethyl ester, (S)-

Chemical Property of 3-Oxazolidinecarboxylic acid, 4-[2-(methylthio)ethyl]-2,5-dioxo-, 9H-fluoren-9-ylmethyl ester, (S)-

Chemical Property:

• PSA: 98.21000
• LogP: 3.97390
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 397.09839388
• Heavy Atom Count: 28
• Complexity: 604

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSCCC1C(=O)OC(=O)N1C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
• Isomeric SMILES: CSCC[C@H]1C(=O)OC(=O)N1C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

Technology Process of 3-Oxazolidinecarboxylic acid, 4-[2-(methylthio)ethyl]-2,5-dioxo-, 9H-fluoren-9-ylmethyl ester, (S)-

There total 1 articles about 3-Oxazolidinecarboxylic acid, 4-[2-(methylthio)ethyl]-2,5-dioxo-, 9H-fluoren-9-ylmethyl ester, (S)- 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:

(fluorenylmethoxy)carbonyl chloride (28920-43-6) + α-methionine-N-carboxyanhydride (15776-11-1) → Fmoc-Met-NCA (129288-42-2)

Guidance literature:

With 4-methyl-morpholine; In tetrahydrofuran; at 2 - 5 ℃; for 2h; Yield given;

DOI:10.1021/ja00176a063

Reference yield: 81.0%

Fmoc-Met-NCA (129288-42-2) + Z-Tyr(OtBu)-Lys(Boc)-OtBu → Fmoc-Met-Tyr(OtBu)-Lys(Boc)-OtBu

Guidance literature:

With hydrogen; palladium on activated charcoal; In tetrahydrofuran; for 1.5h;

DOI:10.1016/0040-4039(94)02391-N

upstream raw materials:

(fluorenylmethoxy)carbonyl chloride

α-methionine-N-carboxyanhydride