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Methyl 3-((2,2-dimethylbutanoyl)thio)propanoate(CAS: 938063-63-9)

Methyl 3-((2,2-dimethylbutanoyl)thio)propanoate
CAS Number

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Basic Information

Molecular Formula
C10H18O3S
Molecular Weight
218.32 g/mol

Physical Properties

Boiling Point
281 ºC
Density
1.048
Flash Point
119 ºC

Chemical Identifiers

SMILES
CCC(C)(C)C(=O)SCCC(=O)OC
InChIKey
OSAXTZWRAGDRFI-UHFFFAOYSA-N

Database References

MDL Number
MFCD22200648

FAQ

Methyl 3-((2,2-dimethylbutanoyl)thio)propanoate (CAS: 938063-63-9) is a colorless to light yellow liquid with a molecular weight of approximately 226.37 g/mol. It has a high solubility in organic solvents but is poorly soluble in water. This compound is reactive towards nucleophiles and can undergo hydrolysis and thioester exchange reactions.
Methyl 3-((2,2-dimethylbutanoyl)thio)propanoate (CAS: 938063-63-9) is typically synthesized via thiolation of methyl 3-(pentanoyl)propanoate with 2,2-dimethylbutan-2-thiol. The reaction is performed in the presence of a base such as pyridine, under anhydrous conditions to prevent side reactions. The yield is generally around 75-85%.
Methyl 3-((2,2-dimethylbutanoyl)thio)propanoate (CAS: 938063-63-9) is primarily used in the pharmaceutical and fine chemical industries for the synthesis of various biologically active compounds. It also finds applications in the polymer industry as a monomer or additive, and in sensor technology for detecting specific chemical species.
Handling Methyl 3-((2,2-dimethylbutanoyl)thio)propanoate (CAS: 938063-63-9) should be done with proper personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbent materials. Safety Data Sheets (SDS) should be consulted for detailed handling and disposal information.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

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