3-(Methylthio)propionyl Chloride

Base Information

• Chemical Name: 3-(Methylthio)propionyl Chloride
• CAS No.: 7031-23-4
• Molecular Formula: C4H7ClOS
• Molecular Weight: 138.618
• Hs Code.: 2930909090
• European Community (EC) Number: 678-606-5
• ChEMBL ID: CHEMBL326737
• DSSTox Substance ID: DTXSID40513028
• Nikkaji Number: J208.722G
• Wikidata: Q72491567
• Mol file: 7031-23-4.mol

Synonyms:7031-23-4;3-(Methylthio)propionyl Chloride;3-Methylthiopropionyl Chloride;3-(methylsulfanyl)propanoyl chloride;3-methylsulfanylpropanoyl chloride;Propanoyl chloride, 3-(methylthio)-;3-(methylthio)propanoyl chloride;3-Methylsulfanyl-propionyl chloride;SCHEMBL289643;CHEMBL326737;methylsulfanyl-propionyl chloride;3-methylmercaptopropionyl chloride;DTXSID40513028;3-(methylthio)-propanoyl chloride;NRHMXMBVLXSSAX-UHFFFAOYSA-N;STR05144;3-(Methylmercapto)propionyl Chloride;3-(methylsulphenyl)propanoyl chloride;MFCD00059482;AKOS008901444;FT-0616193;M0806;D91387;3-(Methylsulfanyl)propanoyl chloride, AldrichCPR;EN300-7190144

Chemical Property of 3-(Methylthio)propionyl Chloride

Chemical Property:

• Vapor Pressure: 0.623mmHg at 25°C
• Refractive Index: 1.484
• Boiling Point: 187.665 °C at 760 mmHg
• Flash Point: 67.298 °C
• PSA: 42.37000
• Density: 1.184 g/cm³
• LogP: 1.50490
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 137.9906137
• Heavy Atom Count: 7
• Complexity: 64.7

Purity/Quality:

99% ^*data from raw suppliers

3-(Methylthio)propionyl Chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 11-34:
• Hazard Codes: 11-34:
• Statements: 11-34
• Safety Statements: 16-26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSCCC(=O)Cl
• Uses: 3-Methylthiopropionyl Chloride acts as a substance used for the antimicrobial activity of methionine analogs as inhibitors of methionyl-tRNA synthetase.

Technology Process of 3-(Methylthio)propionyl Chloride

There total 2 articles about 3-(Methylthio)propionyl Chloride 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:

3-(methylsulfanyl)propionic acid (646-01-5) → 3-(methylthio)propionyl chloride (7031-23-4)

Guidance literature:

With thionyl chloride;

DOI:10.1021/ja01202a024

Reference yield:

→ 3-(methylthio)propionyl chloride (7031-23-4)

Guidance literature:

Reference yield: 92.0%

4-benzoyl-o-quinonedibenzimide + 3-(methylthio)propionyl chloride (7031-23-4) → (S)-1,4,6-tribenzoyl-3-(methylthiomethyl)-3,4-dihydroquinoxalin-2(1H)-one

Guidance literature:

With N-ethyl-N,N-diisopropylamine; benzoylquinidine; zinc trifluoromethanesulfonate; In tetrahydrofuran; at -78 ℃;

DOI:10.1021/ja065754d

upstream raw materials:

3-(methylsulfanyl)propionic acid

Downstream raw materials:

3-methylsulfanyl-propionic acid benzhydryl ester

3-methylsulfanyl-1-phenyl-1-propanone

β-Methylmercapto-propionsaeure-(2,3-dimercaptopropyl)-ester

(2R,4R)-2-(2-Methoxy-phenyl)-3-(3-methylsulfanyl-propionyl)-thiazolidine-4-carboxylic acid

Refernces

• 1、 Griesbeck, Axel G.,?ngel, Banu,Atar, Murat. "New phthalimide-methionine dyad-based fluorescence probes for reactive oxygen species: Singlet oxygen, hydrogen peroxide, and hypochlorite". . . Retrieved 2017/08/23.
• 2、 -. "Extractants for palladium and method of rapidly separating and recovering palladium using the same". Page/Page column 3. . Retrieved 2009/07/25.