3,5-Bis[[2-[[(butylthio)thioxomethyl]thio]propionyl]oxy]benzoic acid

Base Information

Chemical Name:3,5-Bis[[2-[[(butylthio)thioxomethyl]thio]propionyl]oxy]benzoic acid
CAS No.:869119-16-4
Molecular Formula:C23H30O6S6
Molecular Weight:594.884
Hs Code.:
DSSTox Substance ID:DTXSID50475325
Nikkaji Number:J2.404.392D

Synonyms:869119-16-4;3,5-Bis[[2-[[(butylthio)thioxomethyl]thio]propionyl]oxy]benzoic acid;AGN-PC-00JCLB;SCHEMBL12813446;DTXSID50475325

Suppliers and Price of 3,5-Bis[[2-[[(butylthio)thioxomethyl]thio]propionyl]oxy]benzoic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 3,5-Bis[[2-[[(butylthio)thioxomethyl]thio]propionyl]oxy]benzoic acid

Chemical Property:

XLogP3:8.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:19
Exact Mass:594.03666571
Heavy Atom Count:35
Complexity:681

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCSC(=S)SC(C)C(=O)OC1=CC(=CC(=C1)C(=O)O)OC(=O)C(C)SC(=S)SCCCC

Technology Process of 3,5-Bis[[2-[[(butylthio)thioxomethyl]thio]propionyl]oxy]benzoic acid

There total 2 articles about 3,5-Bis[[2-[[(butylthio)thioxomethyl]thio]propionyl]oxy]benzoic acid 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: 54.0%

: 75-15-0,12122-00-8
carbon disulfide

: 869119-15-3
3,5-bis(2-bromopropionyloxy)benzoic acid

: 109-79-5
n-butanethiol

: 869119-16-4
3,5-bis[2-(n-butyltrithiocarbonato)propionyloxy]benzoic acid

Guidance literature:: carbon disulfide; n-butanethiol; With triethylamine; In chloroform; at 20 ℃; for 4h;

3,5-bis(2-bromopropionyloxy)benzoic acid; With triethylamine; In chloroform; at 20 ℃; for 18h; Further stages.;
DOI:10.1071/CH06317

Reference yield:

: 99-10-5
3,5-Dihydroxybenzoic acid

: 869119-16-4
3,5-bis[2-(n-butyltrithiocarbonato)propionyloxy]benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: 81 percent / K₂CO₃ / propan-2-ol / 0.08 h / -15 °C

2.1: Et₃N / CHCl₃ / 4 h / 20 °C

2.2: 54 percent / Et₃N / CHCl₃ / 18 h / 20 °C

With potassium carbonate; triethylamine; In chloroform; isopropyl alcohol;
DOI:10.1071/CH06317