3,9-Dithia-6-azaundecane

Base Information

• Chemical Name: 3,9-Dithia-6-azaundecane
• CAS No.: 81526-29-6
• Molecular Formula: C8H19NS2
• Molecular Weight: 193.378
• DSSTox Substance ID: DTXSID60474066
• Nikkaji Number: J1.029.325A
• Wikidata: Q82303835
• Mol file: 81526-29-6.mol

Synonyms:3,9-DITHIA-6-AZAUNDECANE;81526-29-6;2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine;(EtS(CH2)2)2NH;SCHEMBL949060;DTXSID60474066;LAEJGODWIYHHDW-UHFFFAOYSA-N;bis-(2-ethylsulfanyl-ethyl)-amine

Chemical Property of 3,9-Dithia-6-azaundecane

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 193.09589196
• Heavy Atom Count: 11
• Complexity: 61.1

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCSCCNCCSCC

Technology Process of 3,9-Dithia-6-azaundecane

There total 1 articles about 3,9-Dithia-6-azaundecane 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: 26.0%

N,N-bis(chloro-2-ethyl)amine (334-22-5) + ethanethiol (75-08-1) → N,N-bis(2-(ethylthio)ethyl)amine (81526-29-6)

Guidance literature:

With sodium; In ethanol; at 0 - 20 ℃;

DOI:10.1021/jacs.0c05727

Reference yield: 88.0%

tris(triphenylphosphine)ruthenium(II) chloride (15529-49-4,41756-81-4) + N,N-bis(2-(ethylthio)ethyl)amine (81526-29-6) → ruthenium(bis[2‐(ethylsulfanyl)ethyl]amine)(dichloro)(triphenylphosphine)

Guidance literature:

In toluene; at 100 ℃; for 2h; Inert atmosphere; Schlenk technique;

DOI:10.1002/anie.201209218

Reference yield: 85.0%

2-nitrophenylmethyl bromide (3958-60-9) + N,N-bis(2-(ethylthio)ethyl)amine (81526-29-6) → N-(2-nitrobenzyl)-3,9-dithia-6-azaundecane (852140-40-0)

Guidance literature:

With molecular sieve; potassium carbonate; In acetonitrile; for 8h;

DOI:10.1021/ja037995g

upstream raw materials:

N,N-bis(chloro-2-ethyl)amine

ethanethiol

Downstream raw materials:

N-(2'-hydroxy-3'-formyl-5'-nitrobenzyl)-3,9-dithia-6-monoazaundecane

N-(2-nitrobenzyl)-3,9-dithia-6-azaundecane

N-(2-aminobenzyl)-3,9-dithia-6-azaundecane

(2'-mercapto-3'-formyl-5'-nitrobenzyl)-3,9-dithia-6-monoazaundecane