CAS 5856-77-9

2,2-Dimethylbutanoyl chloride

Description:

2,2-Dimethylbutanoyl chloride, with the CAS number 5856-77-9, is an acyl chloride derived from 2,2-dimethylbutanoic acid. It is characterized by its carbonyl group (C=O) attached to a chlorine atom, which makes it a reactive compound commonly used in organic synthesis. This substance typically appears as a colorless to pale yellow liquid with a pungent odor, indicative of its reactivity and volatility. It is soluble in organic solvents but reacts with water, releasing hydrochloric acid and forming the corresponding carboxylic acid. Due to its reactivity, 2,2-dimethylbutanoyl chloride is often employed as an acylating agent in the synthesis of various organic compounds, including esters and amides. Safety precautions are essential when handling this compound, as it can cause severe irritation to the skin, eyes, and respiratory system. Proper storage in a cool, dry place away from moisture is also crucial to maintain its stability and prevent unwanted reactions.

Formula: C₆H₁₁ClO

InChI: InChI=1S/C6H11ClO/c1-4-6(2,3)5(7)8/h4H2,1-3H3

InChI key: InChIKey=LDJUYMIFFNTKOI-UHFFFAOYSA-N

SMILES: C(C(Cl)=O)(CC)(C)C

Synonyms:

• 2,2-Dimethylbutanoic acid chloride
• 2,2-Dimethylbutanoyl Chloride
• 2,2-Dimethylbutyl Chloride
• 2,2-Dimethylbutyric acid chloride
• 2,2-Dimethylbutyryl chloride
• Butanoyl chloride, 2,2-dimethyl-
• Butyryl chloride, 2,2-dimethyl-

2,2-Dimethylbutyryl Chloride

CAS: 5856-77-9

Formula: C₆H₁₁ClO

Purity: 95%

Color and Shape: Liquid

Molecular weight: 134.6039

Ref: IN-DA003B3A

2,2-Dimethylbutyryl chloride

CAS: 5856-77-9

2,2-Dimethylbutyryl chloride

Purity: 98%

Molecular weight: 134.60g/mol

Ref: 54-OR938206

2,2-Dimethylbutyryl Chloride

CAS: 5856-77-9

Formula: C₆H₁₁ClO

Purity: >98.0%(GC)(T)

Color and Shape: Colorless to Almost colorless clear liquid

Molecular weight: 134.60

Ref: 3B-D3987

2,2-Dimethylbutanoyl Chloride

Controlled Product

CAS: 5856-77-9

Applications 2,2-Dimethylbutanoyl chloride is a reagent that is used in the synthesis of 4α,5-Dihydro Simvastatin (D450010). 4α,5-Dihydro Simvastatin is an impurity in the synthesis of Simvastatin (S485000), a synthetic derivative of a fermentation product of Aspergillus terreus. A competitive inhibitor of HMG-CoA reductase. A synthetic analog of Lovastatin. Antilipemic. Simvastatin, the drug, is sold under the trade name Zocor.
References Hoffman, W.F., et al.: J. Med. Chem., 29, 849 (1986), Mol, M.J., et al.: Lancet, 2, 936 (1986),

Formula: C₆H₁₁ClO

Color and Shape: Neat

Molecular weight: 134.6

Ref: TR-D471465