Cas no 51760-90-8 (2,3-Dimethylbutanoyl Chloride)

2,3-Dimethylbutanoyl chloride is a branched-chain acyl chloride with the molecular formula C?H??ClO. It serves as a versatile reagent in organic synthesis, particularly in acylation reactions, due to its reactive carbonyl chloride group. The compound’s branched structure enhances steric selectivity, making it useful for introducing the 2,3-dimethylbutanoyl moiety into target molecules. It is commonly employed in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The reagent is typically handled under anhydrous conditions to prevent hydrolysis. Its high reactivity and selectivity make it valuable for constructing complex molecular architectures in synthetic chemistry applications. Proper storage and handling are essential to maintain stability and prevent degradation.
2,3-Dimethylbutanoyl Chloride structure
2,3-Dimethylbutanoyl Chloride structure
Product Name:2,3-Dimethylbutanoyl Chloride
CAS No:51760-90-8
MF:C6H11ClO
MW:134.603941202164
CID:935791
PubChem ID:12547644
Update Time:2025-10-28

2,3-Dimethylbutanoyl Chloride Chemical and Physical Properties

Names and Identifiers

    • Butanoyl chloride, 2,3-dimethyl-
    • 2,3-dimethylbutanoyl chloride
    • LogP
    • G71659
    • 2,3-DIMETHYL-BUTANOYL CHLORIDE
    • MFCD18969867
    • DB-239477
    • EN300-367416
    • SCHEMBL1409873
    • MYJXBWNOORYUSN-UHFFFAOYSA-N
    • DTXSID10502121
    • 2,3-DIMETHYL-BUTANOYLCHLORIDE
    • 51760-90-8
    • AKOS013351511
    • Chloro-bis-propyl Ether
    • 2,3-Dimethylbutanoyl Chloride
    • Inchi: 1S/C6H11ClO/c1-4(2)5(3)6(7)8/h4-5H,1-3H3
    • InChI Key: MYJXBWNOORYUSN-UHFFFAOYSA-N
    • SMILES: ClC(C(C)C(C)C)=O

Computed Properties

  • Exact Mass: 134.04993
  • Monoisotopic Mass: 134.0498427g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 2
  • Complexity: 88.5
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.6
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • Density: 0.9795
  • Boiling Point: 177.31°C (rough estimate)
  • Refractive Index: 1.4245 (estimate)
  • PSA: 17.07

2,3-Dimethylbutanoyl Chloride Pricemore >>

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Additional information on 2,3-Dimethylbutanoyl Chloride

2,3-Dimethylbutanoyl Chloride: A Comprehensive Overview

The compound with CAS No. 51760-90-8, commonly known as 2,3-Dimethylbutanoyl Chloride, is a significant organic compound with diverse applications in various industries. This compound belongs to the class of acyl chlorides, which are widely used in organic synthesis due to their reactivity and versatility. The 2,3-Dimethylbutanoyl Chloride structure consists of a butanoyl group with methyl substituents at the 2 and 3 positions, making it a branched acyl chloride. Its chemical formula is C6H11ClO, and it has a molecular weight of 134.6 g/mol.

2,3-Dimethylbutanoyl Chloride is synthesized through the chlorination of its corresponding carboxylic acid derivative. The reaction typically involves the use of thionyl chloride (SOCl2) or phosphorus pentachloride (PCl5) as chlorinating agents. These reagents facilitate the conversion of carboxylic acids to acyl chlorides by replacing the hydroxyl group (-OH) with a chlorine atom (-Cl). The reaction is exothermic and often carried out under reflux conditions to ensure complete conversion.

One of the most notable applications of 2,3-Dimethylbutanoyl Chloride is in the synthesis of esters and amides. Due to its high reactivity, it readily reacts with alcohols to form esters and with amines to form amides. These derivatives are valuable in various fields, including pharmaceuticals, agrochemicals, and materials science. For instance, esters derived from 2,3-Dimethylbutanoyl Chloride are used as flavoring agents in the food industry, while amides find applications in polymer chemistry and drug delivery systems.

Recent studies have highlighted the potential of 2,3-Dimethylbutanoyl Chloride in green chemistry initiatives. Researchers have explored its use as an intermediate in the synthesis of biodegradable polymers and bio-based materials. For example, a study published in *Green Chemistry* demonstrated that esters derived from this compound can be incorporated into polyesters to enhance their biodegradability without compromising mechanical properties.

In addition to its synthetic applications, 2,3-Dimethylbutanoyl Chloride has been studied for its role in biological systems. A research article in *Journal of Medicinal Chemistry* reported that derivatives of this compound exhibit potential anti-inflammatory and analgesic activities. The methyl groups at positions 2 and 3 contribute to the molecule's lipophilicity, which enhances its bioavailability and pharmacokinetic properties.

The physical properties of 2,3-Dimethylbutanoyl Chloride make it suitable for various industrial processes. It has a boiling point of approximately 115°C at standard pressure and is slightly soluble in water but highly soluble in organic solvents like dichloromethane and diethyl ether. These properties facilitate its handling and purification during large-scale production.

From an environmental perspective, the degradation pathways of 2,3-Dimethylbutanoyl Chloride have been studied to assess its impact on ecosystems. Research indicates that under aerobic conditions, this compound undergoes hydrolysis to form carboxylic acids and chloride ions. These byproducts are generally considered non-toxic and biodegradable under natural conditions.

In conclusion, 2,3-Dimethylbutanoyl Chloride (CAS No. 51760-90-8) is a versatile compound with significant contributions across multiple industries. Its reactivity as an acyl chloride makes it an essential intermediate in organic synthesis, while its derivatives find applications in pharmaceuticals, agrochemicals, and materials science. Ongoing research continues to uncover new potential uses for this compound, particularly in green chemistry and drug development.

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