2,2-Bis(ethylthio)acetaldehyde

Base Information

• Chemical Name: 2,2-Bis(ethylthio)acetaldehyde
• CAS No.: 42919-45-9
• Molecular Formula: C6H12OS2
• Molecular Weight: 164.293
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID00483172
• Wikidata: Q82320268
• Mol file: 42919-45-9.mol

Synonyms:2,2-Bis(ethylthio)acetaldehyde;42919-45-9;2,2-BIS(ETHYLSULFANYL)ACETALDEHYDE;bis(ethylthio)acetaldehyde;SCHEMBL703709;DTXSID00483172;AKOS006278034;FT-0663288

Chemical Property of 2,2-Bis(ethylthio)acetaldehyde

Chemical Property:

• Vapor Pressure: 0.308mmHg at 25°C
• Boiling Point: 201.417°C at 760 mmHg
• Flash Point: 68.833°C
• PSA: 67.67000
• Density: 1.072g/cm³
• LogP: 2.01760
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Dichloromethane (Slightly), Methanol (Slightly)
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 164.03295735
• Heavy Atom Count: 9
• Complexity: 69.5

Purity/Quality:

97% ^*data from raw suppliers

2,2-Bis(ethylthio)acetaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCSC(C=O)SCC

Technology Process of 2,2-Bis(ethylthio)acetaldehyde

There total 5 articles about 2,2-Bis(ethylthio)acetaldehyde 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: 77.0%

Glyoxal (131543-46-9,107-22-2) + ethanethiol (75-08-1) → bis-ethylsulfanyl-acetaldehyde (42919-45-9)

Guidance literature:

With hydrogenchloride;

Reference yield:

(Z)-1,2-bis(ethylthio)ethene (14044-67-8) → bis-ethylsulfanyl-acetaldehyde (42919-45-9)

Guidance literature:

With oxygen; rose bengal; In acetone; Irradiation;

DOI:10.1016/S0040-4020(01)83391-3

Reference yield:

bis(ethylthio)methane (4396-19-4) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → bis-ethylsulfanyl-acetaldehyde (42919-45-9)

Guidance literature:

Multistep reaction; (i) nBuLi, THF, hexane, (ii) /BRN= 605365/;

DOI:10.1021/jo00414a027

upstream raw materials:

(Z)-1,2-bis(ethylthio)ethene

bis(ethylthio)methane

N,N-dimethyl-formamide

2,2-bis(ethylthio)-3,3-dimethyl-4-pentenal

Downstream raw materials:

Allyl-(2,2-bis-ethylsulfanyl-vinyl)-cyclohexyl-amine

(2R,4R)-2-(Bis-ethylsulfanyl-methyl)-4-phenyl-[1,3]dioxolane

(2S,4R)-2-(Bis-ethylsulfanyl-methyl)-4-phenyl-[1,3]dioxolane

(4R,5R)-2-(Bis-ethylsulfanyl-methyl)-4,5-dimethyl-[1,3]dioxolane