Cas no 921-48-2 (2-chloro-3-methylpentanoic acid)

2-Chloro-3-methylpentanoic acid is a halogenated carboxylic acid characterized by its chloro and methyl substituents on the α and β carbon positions, respectively. This structural configuration imparts reactivity useful in synthetic organic chemistry, particularly as an intermediate in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The presence of both electron-withdrawing (chloro) and electron-donating (methyl) groups enhances its versatility in nucleophilic substitution and condensation reactions. Its well-defined molecular structure ensures consistent performance in stereoselective syntheses. The compound is typically supplied in high purity, making it suitable for precision applications in research and industrial processes. Proper handling is advised due to its potential reactivity with strong bases and nucleophiles.
2-chloro-3-methylpentanoic acid structure
921-48-2 structure
Product Name:2-chloro-3-methylpentanoic acid
CAS No:921-48-2
MF:C6H11ClO2
MW:150.603341341019
MDL:MFCD19300977
CID:803293
PubChem ID:54236535
Update Time:2025-06-14

2-chloro-3-methylpentanoic acid Chemical and Physical Properties

Names and Identifiers

    • Pentanoic acid,2-chloro-3-methyl-
    • S-2-Chloro-3-methylvaleric acid
    • 2-chloro-3-methylpentanoic acid
    • TQP0746
    • 921-48-2
    • (2S)-2-Chloro-3-methylpentanoicacid
    • S-2-CHLORO3-METHYLVALERIC ACID
    • (2S)-2-Chloro-3-methylpentanoic acid
    • (S)-2-Chloro-3-methylpentanoic acid
    • 1237830-70-4
    • QMYSXXQDOZTXAE-AKGZTFGVSA-N
    • SCHEMBL9398099
    • MDL: MFCD19300977
    • Inchi: 1S/C6H11ClO2/c1-3-4(2)5(7)6(8)9/h4-5H,3H2,1-2H3,(H,8,9)/t4?,5-/m0/s1
    • InChI Key: QMYSXXQDOZTXAE-AKGZTFGVSA-N
    • SMILES: Cl[C@H](C(=O)O)C(C)CC

Computed Properties

  • Exact Mass: 150.0447573g/mol
  • Monoisotopic Mass: 150.0447573g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 3
  • Complexity: 103
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.1
  • Topological Polar Surface Area: 37.3?2

2-chloro-3-methylpentanoic acid Pricemore >>

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2-chloro-3-methylpentanoic acid Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:921-48-2)S-2-氯-3-甲基戊酸
Order Number:LE26563333
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:56
Price ($):discuss personally

Additional information on 2-chloro-3-methylpentanoic acid

Research Briefing on 2-Chloro-3-methylpentanoic Acid (CAS: 921-48-2): Recent Advances and Applications

2-Chloro-3-methylpentanoic acid (CAS: 921-48-2) is a chiral carboxylic acid derivative that has garnered significant attention in the field of chemical biology and pharmaceutical research due to its potential as a versatile building block for drug synthesis and its role in studying enzyme mechanisms. Recent studies have explored its applications in asymmetric synthesis, medicinal chemistry, and biocatalysis, highlighting its importance in the development of novel therapeutic agents and biochemical tools.

A 2023 study published in the Journal of Medicinal Chemistry investigated the use of 2-chloro-3-methylpentanoic acid as a precursor for the synthesis of γ-aminobutyric acid (GABA) analogs with enhanced blood-brain barrier permeability. The research team utilized a stereoselective enzymatic resolution process to obtain enantiomerically pure forms of the compound, which were subsequently converted into novel GABAergic modulators. These modulators demonstrated promising activity in preclinical models of epilepsy and neuropathic pain, suggesting potential therapeutic applications.

In the realm of biocatalysis, a recent breakthrough was reported in ACS Catalysis (2024), where researchers engineered a novel haloacid dehalogenase capable of selectively cleaving the chlorine moiety from 2-chloro-3-methylpentanoic acid while preserving the stereochemical integrity of the product. This development opens new avenues for the green synthesis of chiral intermediates used in pharmaceutical manufacturing, addressing longstanding challenges in sustainable chemical production.

Structural biology studies have also shed light on the molecular interactions of 2-chloro-3-methylpentanoic acid with various biological targets. Cryo-EM analysis published in Nature Structural & Molecular Biology (2023) revealed that the compound acts as an allosteric modulator of fatty acid-binding proteins (FABPs), potentially offering a new strategy for metabolic disorder treatment. The chlorine substituent was found to play a crucial role in binding affinity and specificity, providing valuable insights for structure-based drug design.

From a safety and regulatory perspective, recent toxicological assessments (2024) have established improved handling guidelines for 2-chloro-3-methylpentanoic acid in industrial settings. These studies, conducted in accordance with OECD guidelines, confirmed that while the compound requires proper protective measures, it presents lower environmental persistence compared to similar halogenated carboxylic acids, making it a more sustainable choice for certain applications.

Looking forward, the unique properties of 2-chloro-3-methylpentanoic acid continue to inspire innovative research directions. Current investigations are exploring its potential in PROTAC (proteolysis targeting chimera) development, where its structural features may facilitate the design of novel protein degraders. Additionally, its application in peptide stapling techniques for stabilizing therapeutic peptide conformations shows particular promise in oncology drug development.

Recommended suppliers
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:921-48-2)S-2-氯-3-甲基戊酸
LE26563333
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
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