1,1'-Disulfanediyldiazepan-2-one

Base Information

• Chemical Name: 1,1'-Disulfanediyldiazepan-2-one
• CAS No.: 23847-08-7
• Deprecated CAS: 186983-45-9,2134168-52-6
• Molecular Formula: C12H20N2O2S2
• Molecular Weight: 288.435
• Hs Code.: 2933790090
• European Community (EC) Number: 245-910-0
• UNII: 4R1UA4H6WN
• DSSTox Substance ID: DTXSID1044481
• Nikkaji Number: J68.151B
• Wikidata: Q27260387
• ChEMBL ID: CHEMBL3185848
• Mol file: 23847-08-7.mol

Synonyms:1,1'-disulfanediyldiazepan-2-one;23847-08-7;1-[(2-oxoazepan-1-yl)disulfanyl]azepan-2-one;CAPROLACTAMDISULFIDE;1-[(2-oxoazepan-1-yl)dithio]azepan-2-one;1,1'-disulfanediylbis(azepan-2-one);UNII-4R1UA4H6WN;N,N'-Caprolactam disulfide;4R1UA4H6WN;DTXSID1044481;2H-Azepin-2-one, 1,1'-dithiobis(hexahydro-;EINECS 245-910-0;1,1'-Dithiobis(hexahydro-2H-azepin-2-one);2H-Azepin-2-one, 1,1'-dithiobis[hexahydro-;EC 245-910-0;1,1'-dithiobis[hexahydro-2H-azepin-2-one];1,1'-Dithiodiazepan-2-one;N,N'-Dicaprolactam disulfide;SCHEMBL165668;CHEMBL3185848;DTXCID9024481;Tox21_301989;MFCD00445402;STL332636;AKOS000274379;NCGC00255736-01;CAS-23847-08-7;CS-0358002;F83777;Q27260387;F0273-0060;Z197509788

Chemical Property of 1,1'-Disulfanediyldiazepan-2-one

Chemical Property:

• Vapor Pressure: 0.06Pa at 25℃
• Boiling Point: 422.3 °C at 760 mmHg
• PKA: -1.18±0.20(Predicted)
• Flash Point: 209.2 °C
• PSA: 91.22000
• Density: 1.28 g/cm³
• LogP: 2.87880
• Water Solubility.: 1.4g/L at 25℃
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 288.09662023
• Heavy Atom Count: 18
• Complexity: 283

Purity/Quality:

99.9% ^*data from raw suppliers

CAPROLACTAMDISULFIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(=O)N(CC1)SSN2CCCCCC2=O

Technology Process of 1,1'-Disulfanediyldiazepan-2-one

There total 3 articles about 1,1'-Disulfanediyldiazepan-2-one 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: 96.1%

caprolactam (105-60-2,9012-16-2) → 1-[(2-oxoazepan-1-yl)disulfanyl]azepan-2-one (23847-08-7)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; sulfur monochloride; at 20 ℃; for 2h;

Reference yield: 92.47%

caprolactam (105-60-2,9012-16-2) + caprolactam sodium salt (2123-24-2) → 1-[(2-oxoazepan-1-yl)disulfanyl]azepan-2-one (23847-08-7)

Guidance literature:

With disulfur dichloride; In mineral oil; at 35 ℃; for 4.5h; Temperature;

Reference yield:

→ 1-[(2-oxoazepan-1-yl)disulfanyl]azepan-2-one (23847-08-7)

Guidance literature:

ε-Caprolactam, S2Cl2;

upstream raw materials:

caprolactam

caprolactam sodium salt

Refernces

• 1、 -. "Synthetic method of 1,1'-dicaprolactam disulfide". Paragraph 0024-0031. . Retrieved 2019/08/30.