Cas no 156032-14-3 (2-Amino-2-methyl-butyric acid methyl ester hydrochloride)

2-Amino-2-methyl-butyric acid methyl ester hydrochloride is a chemically modified amino acid derivative, primarily used in organic synthesis and pharmaceutical research. Its key advantages include high purity and stability, making it suitable for peptide synthesis and as a building block for more complex molecules. The hydrochloride salt form enhances solubility in polar solvents, facilitating reactions in aqueous or mixed-phase systems. The ester group provides reactivity for further functionalization, while the quaternary carbon center offers steric influence, useful in stereoselective syntheses. This compound is valued for its versatility in medicinal chemistry and its role in producing chiral intermediates. Proper handling under controlled conditions is recommended due to its hygroscopic nature.
2-Amino-2-methyl-butyric acid methyl ester hydrochloride structure
156032-14-3 structure
Product Name:2-Amino-2-methyl-butyric acid methyl ester hydrochloride
CAS No:156032-14-3
MF:C6H14ClNO2
MW:167.633861064911
MDL:MFCD06737779
CID:138971
PubChem ID:44828790
Update Time:2025-05-23

2-Amino-2-methyl-butyric acid methyl ester hydrochloride Chemical and Physical Properties

Names and Identifiers

    • Isovaline, methylester, hydrochloride (1:1)
    • 2-AMINO-2-METHYL-BUTYRIC ACID METHYL ESTER HYDROCHLORIDE
    • methyl 2-amino-2-methylbutanoate,hydrochloride
    • 2-Amino-2-methyl-buttersaeuremethylester-hydrochlorid
    • HCl*H-DL-Iva-OMe
    • BIO-FARMA BF001046
    • 2-AMINO-2-METHYL-BUTYRICACIDMETHYLESTER,HCL
    • methyl2-amino-2-methylbutanoatehydrochloride
    • (R)-2-Amino-2-methylbutyricacidmethylesterhydrochloride
    • A809713
    • 2-AMINO-2-METHYL-BUTYRIc acidMETHYLESTER,HCL
    • Z992717124
    • MFCD06737779
    • SCHEMBL485078
    • 2-Amino-2-methyl-butyric acid methyl ester, HCl
    • AKOS015844776
    • 2-amino-2-methylbutyric acid methyl ester hydrochloride
    • Methyl isovalinate--hydrogen chloride (1/1)
    • methyl 2-amino-2-methylbutanoate;hydrochloride
    • FT-0643529
    • FT-0642229
    • CS-0112439
    • Isovaline, methyl ester, hydrochloride (1:1)
    • DTXSID40660889
    • HVPPPARGXDTDEY-UHFFFAOYSA-N
    • AS-49329
    • methyl 2-amino-2-methylbutanoate hydrochloride
    • Methyl 2-amino-2-methyl-butanoate hydrochloride
    • FT-0642905
    • 156032-14-3
    • (S)-2-Amino-2-methyl-butyric acid methyl ester, HCl
    • H10174
    • EN300-61296
    • MFCD07368324
    • Methyl (S)-2-Amino-2-methylbutanoate Hydrochloride
    • MFCD07368325
    • SY318251
    • DB-043300
    • SY319491
    • D-Lsovaline Methyl Ester Hydrochloride
    • DB-041418
    • DB-360661
    • 2-Amino-2-methyl-butyricacidmethylester hydrochloride
    • Methyl 2-Amino-2-methyl-butyrate HCl
    • 2-Amino-2-methyl-butyric acid methyl ester hydrochloride
    • MDL: MFCD06737779
    • Inchi: 1S/C6H13NO2.ClH/c1-4-6(2,7)5(8)9-3;/h4,7H2,1-3H3;1H
    • InChI Key: HVPPPARGXDTDEY-UHFFFAOYSA-N
    • SMILES: Cl.O(C)C(C(C)(CC)N)=O

Computed Properties

  • Exact Mass: 167.07100
  • Monoisotopic Mass: 167.071
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 3
  • Complexity: 114
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 52.3A^2

Experimental Properties

  • PSA: 52.32000
  • LogP: 1.78910

2-Amino-2-methyl-butyric acid methyl ester hydrochloride Customs Data

  • HS CODE:2922499990
  • Customs Data:

    China Customs Code:

    2922499990

    Overview:

    2922499990 Other amino acids and their esters and their salts(Except those containing more than one oxygen-containing group). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods) MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, The color of ethanolamine and its salt should be reported, The package of ethanolamine and its salt shall be declared

    Regulatory conditions:

    A.Customs clearance form for Inbound Goods
    B.Customs clearance form for outbound goods

    Inspection and quarantine category:

    P.Imported animals and plants\Quarantine of animal and plant products
    Q.Outbound animals and plants\Quarantine of animal and plant products
    R.Sanitary supervision and inspection of imported food
    S.Sanitary supervision and inspection of exported food
    M.Import commodity inspection
    N.Export commodity inspection

    Summary:

    HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%

2-Amino-2-methyl-butyric acid methyl ester hydrochloride Pricemore >>

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Additional information on 2-Amino-2-methyl-butyric acid methyl ester hydrochloride

Professional Introduction to 2-Amino-2-methyl-butyric acid methyl ester hydrochloride (CAS No. 156032-14-3)

2-Amino-2-methyl-butyric acid methyl ester hydrochloride, with the chemical formula C7H14NO2.HCl, is a significant compound in the field of pharmaceutical and biochemical research. This compound, identified by its CAS number 156032-14-3, has garnered attention due to its versatile applications in drug development and biochemical synthesis. The hydrochloride salt form enhances its solubility and stability, making it a valuable intermediate in various synthetic pathways.

The structure of 2-amino-2-methyl-butyric acid methyl ester hydrochloride features a branched-chain amino acid derivative with an ester group and a hydrochloride salt. This unique configuration imparts distinct chemical properties that make it useful in multiple research domains. The compound's ability to act as a building block in peptide synthesis and as a precursor in the development of novel bioactive molecules has positioned it as a key player in modern medicinal chemistry.

In recent years, research into 2-amino-2-methyl-butyric acid methyl ester hydrochloride has expanded significantly, particularly in the context of enzyme inhibition and metabolic pathways. Studies have demonstrated its potential role in modulating the activity of certain enzymes involved in neurotransmitter synthesis and metabolism. For instance, preliminary investigations suggest that this compound may interact with amino acid transporters, potentially influencing the balance of neurotransmitters in the brain. Such findings are particularly intriguing for researchers exploring treatments for neurological disorders.

The pharmaceutical industry has shown considerable interest in 2-amino-2-methyl-butyric acid methyl ester hydrochloride due to its structural similarity to naturally occurring amino acids. This similarity allows it to serve as a synthetic intermediate for more complex molecules, including those being developed for therapeutic purposes. Additionally, its stability under various conditions makes it a reliable choice for industrial-scale synthesis. Researchers are exploring its utility in the production of chiral compounds, which are essential for many modern drugs.

Recent advancements in computational chemistry have further highlighted the significance of 2-amino-2-methyl-butyric acid methyl ester hydrochloride. Molecular modeling studies indicate that this compound can be tailored to enhance binding affinity with specific biological targets. Such insights are crucial for designing molecules with improved pharmacological properties. The integration of machine learning algorithms into drug discovery processes has accelerated the identification of potential applications for this compound, paving the way for faster development cycles.

The agrochemical sector also recognizes the value of 2-amino-2-methyl-butyric acid methyl ester hydrochloride. Its derivatives have been investigated as potential growth regulators and enzyme inhibitors in plants. By modulating plant metabolic pathways, this compound could contribute to enhancing crop yields and improving resistance against environmental stresses. These applications align with global efforts to develop sustainable agricultural practices that meet the growing demand for food production.

In conclusion, 2-amino-2-methyl-butyric acid methyl ester hydrochloride (CAS No. 156032-14-3) is a multifaceted compound with broad applications across pharmaceuticals, agrochemicals, and biochemical research. Its unique structural properties and functional versatility make it a valuable asset in modern science. As research continues to uncover new possibilities, this compound is likely to play an increasingly important role in advancing scientific and industrial applications.

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