5,6-Dimethyl-5,6-dihydro-1,2,5,6-dithiadiazocine-4,7(3H,8H)-dione

Base Information

• Chemical Name: 5,6-Dimethyl-5,6-dihydro-1,2,5,6-dithiadiazocine-4,7(3H,8H)-dione
• CAS No.: 131760-68-4
• Molecular Formula: C6H10 N2 O2 S2
• Molecular Weight: 206.29
• DSSTox Substance ID: DTXSID701182856
• Nikkaji Number: J402.327G
• Mol file: 131760-68-4.mol

Synonyms:SCHEMBL8894591;DTXSID701182856;Dihydro-5,6-dimethyl-1,2,5,6-dithiadiazocine-4,7(3H,8H)-dione;5,6-Dimethyl-5,6-dihydro-1,2,5,6-dithiadiazocine-4,7(3H,8H)-dione;131760-68-4

Chemical Property of 5,6-Dimethyl-5,6-dihydro-1,2,5,6-dithiadiazocine-4,7(3H,8H)-dione

Chemical Property:

• XLogP3: -0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 206.01836991
• Heavy Atom Count: 12
• Complexity: 188

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=O)CSSCC(=O)N1C

Technology Process of 5,6-Dimethyl-5,6-dihydro-1,2,5,6-dithiadiazocine-4,7(3H,8H)-dione

There total 4 articles about 5,6-Dimethyl-5,6-dihydro-1,2,5,6-dithiadiazocine-4,7(3H,8H)-dione 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:

bis(2-hydroxyethyl) disulfide (1892-29-1) + N,N'-dimethyl-N,N'-bis(mercaptoacetyl)hydrazine (131760-67-3) → 1,2-dimethyl-3,8-dioxo-1,2,5,6-diazadithiocane (131760-68-4) + 2-hydroxyethanethiol (60-24-2)

Guidance literature:

With buffer (pH 7, 50 mM phosphate); Equilibrium constant;

DOI:10.1021/jo00007a018

Reference yield:

N,N'-dimethyl-N,N'-bis(mercaptoacetyl)hydrazine (131760-67-3) + Thioctic acid (1077-28-7,62-46-4) → dihydrolipoic acid (462-20-4) + 1,2-dimethyl-3,8-dioxo-1,2,5,6-diazadithiocane (131760-68-4)

Guidance literature:

With buffer (pH 7.0, 2 mM EDTA, 0.1 M phosphate); Equilibrium constant;

DOI:10.1021/jo00007a018

Reference yield:

1,2-dithiacyclooctane (6008-69-1) + N,N'-dimethyl-N,N'-bis(mercaptoacetyl)hydrazine (131760-67-3) → 1,6-dimercaptohexane (1191-43-1) + 1,2-dimethyl-3,8-dioxo-1,2,5,6-diazadithiocane (131760-68-4)

Guidance literature:

With buffer (pH 7, 50 mM phosphate); Equilibrium constant;

DOI:10.1021/jo00007a018

upstream raw materials:

1,2-dithiacyclooctane

N,N'-dimethyl-N,N'-bis(mercaptoacetyl)hydrazine

Thioctic acid

bis(2-hydroxyethyl) disulfide

Downstream raw materials:

trans-1,2-dithiane-4,5-diol

N,N'-dimethyl-N,N'-bis(mercaptoacetyl)hydrazine

1,2-dithiacyclooctane

Thioctic acid