1-(Glutathion-S-yl)-1,2,3,4,4-pentachloro-1,3-butadiene

Base Information

• Chemical Name: 1-(Glutathion-S-yl)-1,2,3,4,4-pentachloro-1,3-butadiene
• CAS No.: 89021-88-5
• Molecular Formula: C₁₄H₁₆Cl₅N₃O₆S
• Molecular Weight: 531.629
• Nikkaji Number: J401.204F,J448.318I
• Mol file: 89021-88-5.mol

Synonyms:1-(glutathion-S-yl)-1,2,3,4,4-pentachloro-1,3-butadiene;1-GTB-butadiene;GPCB;PCBD-GSH;S-(1,2,3,4,4-pentachloro-1,3-butadienyl)glutathione

Chemical Property of 1-(Glutathion-S-yl)-1,2,3,4,4-pentachloro-1,3-butadiene

Chemical Property:

• Vapor Pressure: 9.34E-26mmHg at 25°C
• Refractive Index: 1.6000 (estimate)
• Boiling Point: 766.9°C at 760 mmHg
• Flash Point: 417.6°C
• Density: 1.648g/cm³
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 12
• Exact Mass: 530.917295
• Heavy Atom Count: 29
• Complexity: 714

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(CC(=O)NC(CSC(=C(C(=C(Cl)Cl)Cl)Cl)Cl)C(=O)NCC(=O)O)C(C(=O)O)N
• Isomeric SMILES: C(CC(=O)N[C@@H](CS/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl)C(=O)NCC(=O)O)[C@@H](C(=O)O)N

Technology Process of 1-(Glutathion-S-yl)-1,2,3,4,4-pentachloro-1,3-butadiene

There total 1 articles about 1-(Glutathion-S-yl)-1,2,3,4,4-pentachloro-1,3-butadiene 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:

GLUTATHIONE (70-18-8) + Hexachlorobutadiene (87-68-3) → S-(1,2,3,4,4-pentachlorobutadienyl)glutathione (89021-88-5)

Guidance literature:

With Alderley Park (Alpk/APfSD) rat liver microsomes; In phosphate buffer; dimethyl sulfoxide; at 37 ℃; for 1h; pH=7.4; Further Variations:; Reagents; Enzyme kinetics;

DOI:10.1016/S0378-4274(02)00372-7

upstream raw materials:

GLUTATHIONE

Hexachlorobutadiene

Refernces