2-Methylthioacetaldehyde

Base Information

• Chemical Name: 2-Methylthioacetaldehyde
• CAS No.: 23328-62-3
• Molecular Formula: C3H6OS
• Molecular Weight: 90.146
• Hs Code.: 2930909090
• European Community (EC) Number: 245-587-6
• UNII: F0NVN68DIT
• DSSTox Substance ID: DTXSID0066876
• Nikkaji Number: J228.930J
• Wikidata: Q27277486
• Metabolomics Workbench ID: 45057
• Mol file: 23328-62-3.mol

Synonyms:Acetaldehyde,(methylthio)- (6CI,7CI,8CI,9CI);(Methylthio)acetaldehyde;2-(Methylmercapto)acetaldehyde;2-(Methylthio)acetaldehyde;

Chemical Property of 2-Methylthioacetaldehyde

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 14.9mmHg at 25°C
• Refractive Index: 1.452
• Boiling Point: 120.9 °C at 760 mmHg
• Flash Point: 30.5 °C
• PSA: 42.37000
• Density: 1.008 g/cm³
• LogP: 0.54830
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 90.01393598
• Heavy Atom Count: 5
• Complexity: 28.1

Purity/Quality:

99% ^*data from raw suppliers

2-METHYLTHIOACETALDEHYDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSCC=O
• Description: May be prepared by hydrolysis of the diethyl acetal of 2-methyl thioacetaldehyde with diluted HCL; the diethyl acetal is prepared from diethylbromoacetal treated with sodium methyl mercaptide.

Technology Process of 2-Methylthioacetaldehyde

There total 8 articles about 2-Methylthioacetaldehyde 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: 70.0%

dimethyl(1-chloro-2-hydroxyethenyl)sulfonium chloride (101010-52-0) → 2-(methylthio)acetaldehyde (23328-62-3) + 2,2,-bis(methylsulfanyl)acetaldehyde (101010-59-7) + chloro(methylthio)acetaldehyde (101010-56-4) + dichloro(methylthio)acetaldehyde (101010-58-6)

Guidance literature:

at 170 ℃; for 0.333333h; under 2 Torr; Further byproducts given;

DOI:10.1021/jo00358a026

Reference yield: 67.0%

1,1-dimethoxy-2-methylsulfanyl-ethane (40015-15-4) → 2-(methylthio)acetaldehyde (23328-62-3)

Guidance literature:

With hydrogenchloride; for 0.5h; Heating;

Reference yield: 57.0%

1,1-diethoxy-2-methylthioethane (4819-74-3) → 2-(methylthio)acetaldehyde (23328-62-3)

Guidance literature:

With toluene-4-sulfonic acid; In dichloromethane; water; for 4h;

upstream raw materials:

1,1-diethoxy-2-methylthioethane

1,1-dimethoxy-2-methylsulfanyl-ethane

dimethyl(1-chloro-2-hydroxyethenyl)sulfonium chloride

S-methyl-DL-cysteine

Downstream raw materials:

[2-Methylsulfanyl-1-(3-phenyl-thioureido)-ethyl]-phosphonic acid diphenyl ester

1-hydroxy-1-phenyl-2-methylthioethane

7-(1-hydroxy-2-methylthioethyl)-2,2-dimethyl-3-oxa-7-phenylthio-1-azabicyclo<4.2.0>octan-8-one

(Z)-5-Methylthiopent-3-en-2-one

Refernces

• 1、 Keiko,N.A. et al.. "-". . . Retrieved 1977.
• 2、 Bosc, Damien,Mouray, Elisabeth,Grellier, Philippe,Cojean, Sandrine,Loiseau, Philippe M.,Dubois, Joelle. "Introduction of methionine mimics on 3-arylthiophene: Influence on protein farnesyltransferase inhibition and on antiparasitic activity". supporting information. p. 1034 - 1041. Retrieved 2013/07/27.
• 3、 -. "Phosphorus protecting groups". Page/Page column 17. . Retrieved 2008/06/13.