(Methylthio)acetaldehyde dimethyl acetal

Base Information

• Chemical Name: (Methylthio)acetaldehyde dimethyl acetal
• CAS No.: 40015-15-4
• Molecular Formula: C5H12O2S
• Molecular Weight: 136.215
• Hs Code.: 29309099
• European Community (EC) Number: 628-705-4
• DSSTox Substance ID: DTXSID90348544
• Nikkaji Number: J1.320.744E
• Wikidata: Q72468096
• Mol file: 40015-15-4.mol

Synonyms:40015-15-4;(Methylthio)acetaldehyde dimethyl acetal;1,1-dimethoxy-2-(methylthio)ethane;1,1-dimethoxy-2-methylsulfanylethane;(Methylthio)acetaldehydedimethylacetal;ethane, 1,1-dimethoxy-2-(methylthio)-;1,1-dimethoxy-2-methylsulfanyl-ethane;(Methylmercapto)acetaldehyde Dimethyl Acetal;SCHEMBL490352;DTXSID90348544;BCP20569;MFCD00009848;(methylthio)acetaldehyde dimethylacetal;AKOS009157082;AS-47747;2-(Methylthio)acetaldehyde dimethyl acetal;CS-0186106;FT-0613092;M2236;(Methylthio)acetaldehyde dimethyl acetal, 97%;1,1-DIMETHOXY-2-(METHYLSULFANYL)ETHANE;F15987;EN300-7193187;A824852

Chemical Property of (Methylthio)acetaldehyde dimethyl acetal

Chemical Property:

• Vapor Pressure: 2.01mmHg at 25°C
• Refractive Index: n20/D 1.4528(lit.)
• Boiling Point: 169.8 °C at 760 mmHg
• Flash Point: 56.5 °C
• PSA: 43.76000
• Density: 0.986 g/cm³
• LogP: 0.96830
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 136.05580079
• Heavy Atom Count: 8
• Complexity: 45.7

Purity/Quality:

99% ^*data from raw suppliers

(Methylthio)acetaldehyde Dimethyl Acetal ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xi
• Hazard Codes: F,Xi
• Statements: 11-36/37/38
• Safety Statements: 16-26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(CSC)OC
• Uses: (Methylthio)acetaldehyde dimethyl acetal may be used in chemical synthesis studies.

Technology Process of (Methylthio)acetaldehyde dimethyl acetal

There total 2 articles about (Methylthio)acetaldehyde dimethyl acetal 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:

methylthiol (74-93-1) + chloroacetaldehyde dimethyl acetal (97-97-2) → 1,1-dimethoxy-2-methylsulfanyl-ethane (40015-15-4)

Guidance literature:

With sodium; potassium iodide; Yield given. Multistep reaction; 1.) MeOH, -20 to 25 deg C, 2.) MeOH, benzene, reflux, 28.5 h;

DOI:10.1055/s-1987-28041

Reference yield:

→ 1,1-dimethoxy-2-methylsulfanyl-ethane (40015-15-4)

Guidance literature:

Bromacetaldehyd-dimethylacetal, Na-SCH3;

DOI:10.1021/jf60116a014

Reference yield: 71.0%

p-toluene sulfinic acid (536-57-2) + methanesulfonamide (3144-09-0) + 1,1-dimethoxy-2-methylsulfanyl-ethane (40015-15-4) → N-(2-methylthio-1-p-toluenesulfonylethyl)methanesulfonamide (124031-23-8)

Guidance literature:

With toluene-4-sulfonic acid; In dichloromethane; for 96h; Ambient temperature;

DOI:10.1246/cl.1989.1107

upstream raw materials:

methylthiol

chloroacetaldehyde dimethyl acetal

Downstream raw materials:

dithiophosphoric acid O,O'-diethyl ester S-[2-methylsulfanyl-1-(2-oxo-5-phenyl-[1,3,4]oxadiazol-3-yl)-ethyl] ester

dithiophosphoric acid O,O'-dimethyl ester S-[2-methylsulfanyl-1-(2-oxo-5-phenyl-[1,3,4]oxadiazol-3-yl)-ethyl] ester

2-(methylthio)acetaldehyde

N-(2-methylthio-1-p-toluenesulfonylethyl)methanesulfonamide

Refernces

• 1、 Mikolajczyk, Marian,Balczewski, Piotr. "Methylenomycin B: A New Synthesis from a β-Ketophosphonate". . p. 659 - 661. Retrieved 2007/10/02.