Propanamide, 3,3'-dithiobis[N-octyl-

Base Information

• Chemical Name: Propanamide, 3,3'-dithiobis[N-octyl-
• CAS No.: 33312-01-5
• Molecular Formula: C22H44N2O2S2
• Molecular Weight: 432.736
• Hs Code.: 2930909090
• European Community (EC) Number: 251-453-8
• DSSTox Substance ID: DTXSID6067759
• Nikkaji Number: J319.524D
• Wikidata: Q72470191
• Mol file: 33312-01-5.mol

Synonyms:33312-01-5;Propanamide, 3,3'-dithiobis[N-octyl-;3,3'-Dithiobis(N-octylpropionamide);N,N'-Di-n-octyl-3,3'-dithiodipropionamide;N-octyl-3-[[3-(octylamino)-3-oxopropyl]disulfanyl]propanamide;EINECS 251-453-8;N,N'-Bis-n-octyl-3,3'-dithiopropionamide;3,3'-dithiobis[N-octylpropionamide];Propanamide, 3,3'-dithiobis(N-octyl-;N,NDi-(n-octyl-d17)-3,3dithiodipropionamide;Propionamide, 3,3'-dithiobis(N-octyl-;Propionamide, 3,3'-dithiobis[N-octyl-;SCHEMBL1146790;DTXSID6067759;C22H44N2O2S2;AKOS015901622;3,3/'-Dithiobis(N-octylpropionamide);C22-H44-N2-O2-S2;FT-0667606;FT-0667607;J-019138;N,N inverted exclamation mark -Di-n-octyl-3,3 inverted exclamation mark -dithiodipropionamide

Chemical Property of Propanamide, 3,3'-dithiobis[N-octyl-

Chemical Property:

• Boiling Point: 619.6 °C at 760 mmHg
• PKA: 15.57±0.46(Predicted)
• Flash Point: 328.5 °C
• PSA: 108.80000
• Density: 1.003 g/cm³
• LogP: 6.88320
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 21
• Exact Mass: 432.28442100
• Heavy Atom Count: 28
• Complexity: 334

Purity/Quality:

99% ^*data from raw suppliers

N,N’-Di-n-octyl-3,3’-dithiodipropionamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCNC(=O)CCSSCCC(=O)NCCCCCCCC
• Uses: N,N’-Di-n-octyl-3,3’-dithiodipropionamide (cas# 33312-01-5) is a compound useful in organic synthesis.

Technology Process of Propanamide, 3,3'-dithiobis[N-octyl-

There total 3 articles about Propanamide, 3,3'-dithiobis[N-octyl- 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: 92.0%

n-Octylamine (111-86-4) + dimethyl 3,3'-dithiodipropionate (15441-06-2) → 3,3'-disulfanediylbis(N-octylpropanamide) (33312-01-5)

Guidance literature:

With hydrogenchloride; In water; at 10 ℃; for 15h; Temperature;

Reference yield:

n-Octylamine (111-86-4) + 3-(2-chlorocarbonyl-ethyldisulfanyl)-propionyl chloride (1002-18-2) → 3,3'-disulfanediylbis(N-octylpropanamide) (33312-01-5)

Guidance literature:

Reference yield:

3,3'-dithiobis(propionic acid) (1119-62-6) → 3,3'-disulfanediylbis(N-octylpropanamide) (33312-01-5)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂, Py

With pyridine; thionyl chloride;

upstream raw materials:

n-Octylamine

3-(2-chlorocarbonyl-ethyldisulfanyl)-propionyl chloride

3,3'-dithiobis(propionic acid)

dimethyl 3,3'-dithiodipropionate

Downstream raw materials:

Sea-Nine 211

2-octyl-isothiazol-3-one

2-n-octyl-4-isothiazolin-3-one.HCl

5-chloro-2-octyl-2H-isothiazol-3-one

Refernces

• 1、 -. "Preparation method of 4, 5-dichloro-2-n-octyl-3-isothiazolinone". Paragraph 0032-0034; 0036-0037; 0039-0040; 0042-0043. . Retrieved 2021/11/03.