S-(4-nitrobenzyl)-glutathione

Base Information

• Chemical Name: S-(4-nitrobenzyl)-glutathione
• CAS No.: 6803-19-6
• Molecular Formula: C17H22 N4 O8 S
• Molecular Weight: 442.45
• NSC Number: 131122
• DSSTox Substance ID: DTXSID00987463
• Mol file: 6803-19-6.mol

Synonyms:C17H22N4O8S;C17-H22-N4-O8-S;NSC131122;S-(4-nitrobenzyl)-glutathione;SCHEMBL2089784;DTXSID00987463;NSC-131122;FT-0636262;5-[(1-[(Carboxymethyl)imino]-1-hydroxy-3-{[(4-nitrophenyl)methyl]sulfanyl}propan-2-yl)imino]-5-hydroxynorvaline

Chemical Property of S-(4-nitrobenzyl)-glutathione

Chemical Property:

• Vapor Pressure: 6.52E-33mmHg at 25°C
• Boiling Point: 877.1°C at 760 mmHg
• Flash Point: 484.2°C
• PSA: 229.94000
• Density: 1.464g/cm³
• LogP: 1.71100
• Storage Temp.: 2-8°C
• XLogP3: -2.8
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 12
• Exact Mass: 442.11583485
• Heavy Atom Count: 30
• Complexity: 634

Purity/Quality:

99% ^*data from raw suppliers

S-(PARA-NITROBENZYL)GLUTATHIONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)[N+](=O)[O-]

Technology Process of S-(4-nitrobenzyl)-glutathione

There total 2 articles about S-(4-nitrobenzyl)-glutathione 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: 99.0%

GLUTATHIONE (70-18-8) + 4-nitrobenzyl chloride (100-14-1) → S-(p-nitrobenzyl)-glutathione (6803-19-6)

Guidance literature:

With N,N,N',N'-tetramethylguanidine; In tetrahydrofuran; at 50 ℃; for 1h; Inert atmosphere;

DOI:10.1016/j.tetlet.2010.08.097

Reference yield:

→ S-(4-nitrophenacyl)glutathione (6803-19-6)

Guidance literature:

Glutathion, p-Nitro-benzylchlorid, Na, fl. NH3;

upstream raw materials:

GLUTATHIONE

4-nitrobenzyl chloride