3-(Methylthio)-2-butanone

Base Information

• Chemical Name: 3-(Methylthio)-2-butanone
• CAS No.: 53475-15-3
• Molecular Formula: C5H10OS
• Molecular Weight: 118.2
• Hs Code.: 2930909090
• European Community (EC) Number: 258-576-6
• UNII: 9B48E0787W
• DSSTox Substance ID: DTXSID80866343
• Nikkaji Number: J295.966F
• Wikidata: Q27272297
• Metabolomics Workbench ID: 49416
• Mol file: 53475-15-3.mol

Synonyms:3-Methylthio-2-butanone;3-(Methylthio)-2-butanone;53475-15-3;3-methylsulfanylbutan-2-one;2-Butanone, 3-(methylthio)-;DL-3-(Methylthio)butanone;3-(methylthio)butan-2-one;dl-3-(Methylthio)-2-butanone;UNII-9B48E0787W;EINECS 258-576-6;9B48E0787W;dextro,laevo-3-(methyl thio) butanone;3-Methylmercapto-2-butanone;3-methylsulanylbutan-2-one;3-(METHYLTHIO)BUTANONE;3-(Methylsulfanyl)-2-butanone;3-(methylsulfanyl)butan-2-one;SCHEMBL2180984;FEMA NO. 4181;HFVLNCDRAMUMCC-UHFFFAOYSA-;DTXSID80866343;CHEBI:173460;3-(Methylsulfanyl)-2-butanone #;MFCD00008761;AKOS009157612;99315-41-0;3-(METHYLTHIO)-2-BUTANONE [FHFI];(+/-)-3-(METHYLTHIO)-2-BUTANONE;CS-0453432;FT-0708001;M1113;3-(METHYLTHIO)-2-BUTANONE, (+/-)-;D91444;W-105733;Q27272297

Chemical Property of 3-(Methylthio)-2-butanone

Chemical Property:

• Appearance/Colour: liquid
• Vapor Pressure: 4.36mmHg at 25°C
• Refractive Index: n20/D 1.471(lit.)
• Boiling Point: 147.8 °C at 760 mmHg
• Flash Point: 43.7 °C
• PSA: 42.37000
• Density: 0.964 g/cm³
• LogP: 1.32690
• Storage Temp.: Flammables area
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 118.04523611
• Heavy Atom Count: 7
• Complexity: 70.5

Purity/Quality:

99% ^*data from raw suppliers

3-Methylthio-2-butanone ^*data from reagent suppliers

Safty Information:

• Statements: 10
• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)C)SC

Technology Process of 3-(Methylthio)-2-butanone

There total 7 articles about 3-(Methylthio)-2-butanone 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) + 3-bromo-butanone (814-75-5) → D,L-3-(methylthio)-2-butanone (53475-15-3,99315-41-0)

Guidance literature:

Multistep reaction; (i) NaOMe, MeOH, (ii) /BRN= 906773/;

DOI:10.1021/ja00824a028

Reference yield:

→ D,L-3-(methylthio)-2-butanone (53475-15-3,99315-41-0)

Guidance literature:

With sodium hydroxide;

Reference yield:

(E)-2-methylsulfanyl-3-(2,4,6-trinitro-benzenesulfonyloxy)-but-2-ene (35552-99-9) → D,L-3-(methylthio)-2-butanone (53475-15-3,99315-41-0)

Guidance literature:

In methanol; nitromethane;

upstream raw materials:

3-mercapto-2-butanone

dimethyl sulfate

3-bromo-butanone

sodium thiomethoxide