51760-90-8

Basic information

• Product Name: Butanoyl chloride, 2,3-dimethyl-
• Synonyms: Butanoyl chloride, 2,3-dimethyl-
• CAS NO: 51760-90-8
• Molecular Formula: C₆H₁₁ClO
• Molecular Weight: 134.6
• Mol File: 51760-90-8.mol
• Article Data: 10

Chemical Properties

• Boiling Point: 177.31°C (rough estimate)
• Flash Point: 27.7°C
• Appearance: /
• Density: 0.9795
• Vapor Pressure: 9.99mmHg at 25°C
• Refractive Index: 1.4245 (estimate)
• CAS DataBase Reference: Butanoyl chloride, 2,3-dimethyl-(CAS DataBase Reference)
• NIST Chemistry Reference: Butanoyl chloride, 2,3-dimethyl-(51760-90-8)
• EPA Substance Registry System: Butanoyl chloride, 2,3-dimethyl-(51760-90-8)

Safety Data

• Hazardous Substances Data: 51760-90-8(Hazardous Substances Data)

Usage

Description

Butanoyl chloride, 2,3-dimethylis an organic compound with the chemical formula C6H11ClO2. It is a derivative of butanoyl chloride, featuring two methyl groups at the 2nd and 3rd carbon positions. Butanoyl chloride, 2,3-dimethylis a colorless to pale yellow liquid and is used as an intermediate in the synthesis of various chemicals.

Uses

Used in Chemical Synthesis:
Butanoyl chloride, 2,3-dimethylis used as an intermediate in the chemical synthesis process for producing 3-Chloro-2-methylbutane (C990505), which contains CCl4. Butanoyl chloride, 2,3-dimethylserves as a generic chemical reagent in the synthesis of alkylthioalkylmalonic esters.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, Butanoyl chloride, 2,3-dimethylis used as a key component in the synthesis of antimicrobial agents. These agents are designed to inhibit the growth of microorganisms, making them useful in the development of new drugs to combat bacterial infections.
Used in Research and Development:
Butanoyl chloride, 2,3-dimethylis also utilized in research and development for the creation of new chemical compounds and materials. Its unique structure allows for various modifications and reactions, contributing to the advancement of chemical knowledge and the development of novel applications in different industries.

InChI:InChI=1/C6H11ClO/c1-4(2)5(3)6(7)8/h4-5H,1-3H3

Upstream product

• 14287-61-7 2,3-dimethylbutyric acid 
• 503-74-2 3-methylbutyric acid 
• 7719-09-7 thionyl chloride 
• 58447-69-1 2-methyl-2-isopropyl malonic acid diethyl ester 
• 759-36-4 diethyl isopropylmalonate 
• 54004-42-1 2,3-dimethyl-butanoic acid, ethyl ester 
• 105-43-1 3-methylvaleric acid 

Downstream Products

• 19550-30-2 2,3-dimethylbutanol 
• 80607-67-6 N-<4-(Dimethylamino)phenyl>-2,3-dimethylbutyramid 
• 90739-97-2 N-(2,6-dichlorophenyl)-2,3-dimethylbutanamide 
• 107640-38-0 N-<1-(N,N-Dimethylthiocarbamoyl)-1,2-dimethylpropyl>benzamid 
• 107195-11-9 4-Isopropyl-4-methyl-2-phenyl-1,3-thiazol-5(4H)-thion 
• 49642-48-0 2,3-dimethylbutanal 
• 93088-62-1 2,3-dimethylbutyl 4-methylbenzenesulfonate 
• 66576-26-9 (+/-)-2,3,4-trimethyl-2-pentanol 
• 14287-61-7 2,3-dimethylbutyric acid 
• 503606-89-1 1,1-bis[dimethyl(phenyl)silyl]-2,3-dimethylbutan-1-ol 
• 90739-99-4 N-(2-chloro-6-methylphenyl)-2,3-dimethylbutanamide 
• 90740-00-4 2,3-dimethyl-N-(2,6-dimethylphenyl)butanamide 
• 58850-91-2 2,3-Dimethylbutanoyl-harnstoff 
• 58265-46-6 2,3-dimethyl-N-phenylbutanamide 

Relevant articles and documents

Functionalization of α-C(sp3)?H Bonds in Amides Using Radical Translocating Arylating Groups

α-C?H arylation of N-alkylamides using 2-iodoarylsulfonyl radical translocating arylating (RTA) groups is reported. The method allows the construction of α-quaternary carbon centers in amides. Various mono- and disubstituted RTA-groups are applied to the arylation of primary, secondary, and tertiary α-C(sp3)?H-bonds. These radical transformations proceed in good to excellent yields and the cascades comprise a 1,6-hydrogen atom transfer, followed by a 1,4-aryl migration with subsequent SO2 extrusion.

Unactivated C(sp3)-H hydroxylation through palladium catalysis with H2O as the oxygen source

A novel palladium catalyzed hydroxylation of unactivated aliphatic C(sp3)-H bonds was successfully developed. Different from conventional methods, water serves as the hydroxyl group source in the reaction. This new reaction demonstrates good reactivity and broad functional group tolerance. The C-H hydroxylated products can be readily transformed into various highly valuable chemicals via known transformations. Based on experimental and theoretical studies, a mechanism involving the Pd(ii)/(iv) pathway is proposed for this hydroxylation reaction.

Synthesis and evaluation of antiallodynic and anticonvulsant activity of novel amide and urea derivatives of valproic acid analogues

Valproic acid (VPA, 1) is a major broad spectrum antiepileptic and central nervous system drug widely used to treat epilepsy, bipolar disorder, and migraine. VPA's clinical use is limited by two severe and lifethreatening side effects, teratogenicity and hepatotoxicity. A number of VPA analogues and their amide, N-methylamide and urea derivatives, were synthesized and evaluated in animal models of neuropathic pain and epilepsy. Among these, two amide and two urea derivatives of 1 showed the highest potency as antineuropathic pain compounds, with ED50 values of 49 and 51 mg/kg for the amides (19 and 20) and 49 and 74 mg/kg for the urea derivatives (29 and 33), respectively. 19, 20, and 29 were equipotent to gabapentin, a leading drug for the treatment of neuropathic pain. These data indicate strong potential for the above-mentioned novel compounds as candidates for future drug development for the treatment of neuropathic pain. 2009 American Chemical Society.