4,5-Bis(2-bromo-ethylsulfanyl)-[1,3]dithiol-2-one

Base Information

• Chemical Name: 4,5-Bis(2-bromo-ethylsulfanyl)-[1,3]dithiol-2-one
• CAS No.: 128258-75-3
• Molecular Formula: C₇H₈Br₂OS₄
• Molecular Weight: 396.212
• DSSTox Substance ID: DTXSID70561138
• Wikidata: Q82444809
• Mol file: 128258-75-3.mol

Synonyms:128258-75-3;4,5-bis(2-bromoethylsulfanyl)-1,3-dithiol-2-one;4,5-bis-(2-bromo-ethylsulfanyl)-[1,3]dithiol-2-one;4,5-BIS(2-BROMO-ETHYLSULFANYL)-[1,3]DITHIOL-2-ONE;DTXSID70561138;4,5-Bis[(2-bromoethyl)sulfanyl]-2H-1,3-dithiol-2-one

Chemical Property of 4,5-Bis(2-bromo-ethylsulfanyl)-[1,3]dithiol-2-one

Chemical Property:

• PSA: 124.15000
• LogP: 4.14380
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 395.78043
• Heavy Atom Count: 14
• Complexity: 222

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

4,5-BIS-(2-BROMO-ETHYLSULFANYL)-[1,3]DITHIOL-2-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CBr)SC1=C(SC(=O)S1)SCCBr

Technology Process of 4,5-Bis(2-bromo-ethylsulfanyl)-[1,3]dithiol-2-one

There total 3 articles about 4,5-Bis(2-bromo-ethylsulfanyl)-[1,3]dithiol-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: 79.0%

4,5-bis(β-p-chlorophenylsulfonyloxyethylthio)-1,3-dithiol-2-one (128258-73-1) → 4,5-bis(β-bromoethylthio)-1,3-dithiol-2-one (128258-75-3)

Guidance literature:

With lithium bromide; In acetone; for 3h; Heating;

Reference yield:

4,5-bis(β-hydroxyethylthio)-1,3-dithiol-2-one (128258-72-0) → 4,5-bis(β-bromoethylthio)-1,3-dithiol-2-one (128258-75-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 97 percent / triethylamine / dioxane / 3 h / 20 °C

2: 79 percent / lithium bromide / acetone / 3 h / Heating

With triethylamine; lithium bromide; In 1,4-dioxane; acetone;

Reference yield:

4,5-bis[(2'-hydroxyethyl)thio]1,3-dithiole-2-thione (128258-71-9) → 4,5-bis(β-bromoethylthio)-1,3-dithiol-2-one (128258-75-3)

Guidance literature:

Multi-step reaction with 3 steps

1: 52 percent / mercuric acetate, acetic acid / CHCl₃ / 5 h / Heating

2: 97 percent / triethylamine / dioxane / 3 h / 20 °C

3: 79 percent / lithium bromide / acetone / 3 h / Heating

With mercury(II) diacetate; acetic acid; triethylamine; lithium bromide; In 1,4-dioxane; chloroform; acetone;

upstream raw materials:

4,5-bis(β-p-chlorophenylsulfonyloxyethylthio)-1,3-dithiol-2-one

4,5-bis(β-hydroxyethylthio)-1,3-dithiol-2-one

4,5-bis[(2'-hydroxyethyl)thio]1,3-dithiole-2-thione