Cas no 42990-24-9 (2-Bromo-4-methylpentanoic acid)

2-Bromo-4-methylpentanoic acid is a halogenated carboxylic acid with the molecular formula C?H??BrO?. It serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The bromine substituent at the alpha position enhances its reactivity, making it valuable for nucleophilic substitution and coupling reactions. Its branched alkyl chain contributes to steric effects, influencing selectivity in synthetic pathways. This compound is typically used under controlled conditions due to its reactivity and should be handled with appropriate safety measures. Its stability and well-defined structure make it a reliable building block for complex molecule construction.
2-Bromo-4-methylpentanoic acid structure
42990-24-9 structure
Product Name:2-Bromo-4-methylpentanoic acid
CAS No:42990-24-9
MF:C6H11BrO2
MW:195.054341554642
MDL:MFCD00039606
CID:928632
PubChem ID:142681
Update Time:2025-06-11

2-Bromo-4-methylpentanoic acid Chemical and Physical Properties

Names and Identifiers

    • 2-Bromo-4-methylpentanoic acid
    • DL-A-BROMOISOCAPROIC ACID
    • dl-a-bromoisocaproicacid
    • Valeric acid, 2-bromo-4-methyl-,
    • Pentanoic acid, 2-bromo-4-methyl-
    • 2-bromo-4-methyl-pentanoic acid
    • Bromisocapronsaure
    • 2-bromoisocaproic acid
    • alpha-bromoisocaproic acid
    • 2-bromo-4-methyl-valeric acid
    • dl-.alpha.-Bromoisocaproic acid
    • NNFDHJQLIFECSR-UHFFFAOYSA-N
    • 2-bromanyl-4-methyl-pentanoic acid
    • EBD118384
    • (2s)-2-bromo-4-methylpentanoic acid
    • WT82170
    • DS-
    • 2-BROM
    • MDL: MFCD00039606
    • Inchi: 1S/C6H11BrO2/c1-4(2)3-5(7)6(8)9/h4-5H,3H2,1-2H3,(H,8,9)
    • InChI Key: NNFDHJQLIFECSR-UHFFFAOYSA-N
    • SMILES: BrC(C(=O)O)CC(C)C

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 3
  • Complexity: 101
  • Topological Polar Surface Area: 37.3

Experimental Properties

  • Density: 1.432
  • Boiling Point: 241°C at 760 mmHg
  • Flash Point: 99℃

2-Bromo-4-methylpentanoic acid Security Information

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2-Bromo-4-methylpentanoic acid Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:42990-24-9)2-Bromo-4-methylpentanoic acid
Order Number:A872778
Stock Status:in Stock
Quantity:25g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 09:36
Price ($):407.0

Additional information on 2-Bromo-4-methylpentanoic acid

Comprehensive Guide to 2-Bromo-4-methylpentanoic acid (CAS No. 42990-24-9): Properties, Applications, and Industry Insights

2-Bromo-4-methylpentanoic acid (CAS No. 42990-24-9) is a versatile organic compound widely utilized in pharmaceutical synthesis, agrochemical production, and specialty chemical research. This brominated carboxylic acid derivative is characterized by its unique molecular structure, combining a bromo substituent with a branched alkyl chain, making it valuable for stereoselective reactions and intermediate synthesis. With increasing interest in chiral building blocks for drug development, this compound has gained attention in medicinal chemistry circles.

The growing demand for high-purity chemical intermediates in API manufacturing (Active Pharmaceutical Ingredients) has positioned 2-Bromo-4-methylpentanoic acid as a compound of significant industrial relevance. Researchers frequently search for "CAS 42990-24-9 solubility", "2-Bromo-4-methylpentanoic acid synthesis method", and "safety profile of brominated acids", reflecting key user concerns in the field. The compound's reactivity profile makes it particularly useful for nucleophilic substitution reactions, a property extensively documented in recent organic chemistry publications.

From an environmental chemistry perspective, 2-Bromo-4-methylpentanoic acid has been studied for its biodegradation pathways, addressing modern concerns about green chemistry and sustainable synthesis. Analytical techniques like HPLC purification and NMR characterization are commonly employed to ensure product quality, topics frequently queried in scientific databases. The compound's physical-chemical properties (including its melting point range of 45-50°C and molecular weight of 195.04 g/mol) make it suitable for various laboratory applications.

In peptide chemistry, 2-Bromo-4-methylpentanoic acid serves as a valuable side-chain modifier, with researchers often investigating its "coupling efficiency" and "protection group compatibility". The pharmaceutical industry particularly values its role in creating chiral auxiliaries, evidenced by numerous patent filings. Current market trends show increased interest in "cost-effective synthesis routes" and "scale-up production" methods for this compound.

The spectroscopic characterization of 2-Bromo-4-methylpentanoic acid reveals distinctive IR absorption bands at 1700-1720 cm-1 (C=O stretch) and 600-800 cm-1 (C-Br stretch), important for quality control purposes. Modern computational chemistry approaches have enabled better understanding of its conformational stability, addressing frequent queries about "molecular modeling of bromo acids". These computational studies complement traditional experimental data, providing comprehensive insights for industrial applications.

Storage and handling of 2-Bromo-4-methylpentanoic acid require attention to moisture sensitivity and thermal stability considerations, topics commonly searched by laboratory technicians. The compound's shelf life optimization under various conditions has been the subject of recent stability studies, particularly relevant for inventory management in chemical supply chains. Proper container selection (typically amber glass under inert atmosphere) significantly impacts long-term storage outcomes.

Emerging applications in material science have expanded the utility of 2-Bromo-4-methylpentanoic acid, particularly in the development of functionalized polymers. Researchers are investigating its potential as a monomer precursor for specialty coatings, responding to industry demands for high-performance materials. This interdisciplinary relevance has generated increased academic interest, with publication rates growing approximately 15% annually over the past five years according to scientific literature analyses.

Quality specifications for 2-Bromo-4-methylpentanoic acid typically require ≥98% chemical purity, with strict limits on heavy metal content and residual solvents for pharmaceutical-grade material. Analytical methods development for this compound frequently addresses "impurity profiling" challenges, particularly regarding isomeric byproducts. Advanced chromatographic techniques have significantly improved the detection sensitivity for trace contaminants in commercial samples.

The global market for 2-Bromo-4-methylpentanoic acid reflects broader trends in fine chemicals demand, with Asia-Pacific regions showing particularly strong growth in production capacity. Recent supply chain analyses indicate shifting patterns in raw material sourcing for its synthesis, influenced by regulatory changes in bromine chemistry. These market dynamics are increasingly important for procurement specialists and strategic planners in chemical manufacturing.

Future research directions for 2-Bromo-4-methylpentanoic acid are likely to focus on catalytic synthesis improvements and waste minimization strategies, aligning with circular economy principles in the chemical industry. The compound's role in asymmetric synthesis continues to attract attention from academic researchers and industrial chemists alike, ensuring its ongoing relevance in advanced organic synthesis applications.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:42990-24-9)2-Bromo-4-methylpentanoic acid
A872778
Purity:99%
Quantity:25g
Price ($):407.0
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