Cas no 2577-46-0 ((2S,3S)-Methyl 2-amino-3-methylpentanoate)

(2S,3S)-Methyl 2-amino-3-methylpentanoate is a chiral ester derivative of 2-amino-3-methylpentanoic acid, featuring a stereochemically defined (2S,3S) configuration. This compound serves as a valuable intermediate in organic synthesis, particularly in the preparation of enantiomerically pure pharmaceuticals and bioactive molecules. Its ester functionality enhances solubility in organic solvents, facilitating reactions under mild conditions, while the stereocenters allow for precise control in asymmetric synthesis. The methyl ester group also provides a versatile handle for further derivatization, such as hydrolysis or transesterification. Its well-defined stereochemistry ensures high selectivity in peptide and peptidomimetic applications, making it a preferred choice for researchers requiring chiral building blocks.
(2S,3S)-Methyl 2-amino-3-methylpentanoate structure
2577-46-0 structure
Product Name:(2S,3S)-Methyl 2-amino-3-methylpentanoate
CAS No:2577-46-0
MF:C7H15NO2
MW:145.199502229691
MDL:MFCD07698610
CID:43192
PubChem ID:329817273
Update Time:2025-06-09

(2S,3S)-Methyl 2-amino-3-methylpentanoate Chemical and Physical Properties

Names and Identifiers

    • (2S,3S)-Methyl 2-amino-3-methylpentanoate
    • (2S,3S)-2-Amino-3-methylpentanoic acid methyl ester
    • (2S,3S)-2-Amino-3-methyl-pentanoic acid methyl ester
    • L-Isoleucine, methyl ester
    • H-L-Ile-OMe
    • isoleucine methyl ester
    • L-Isoleucine methyl
    • methyl L-isoleucinate
    • CHEMBL1229072
    • L-ISOLEUCINE METHYL ESTER
    • EN300-58836
    • SCHEMBL76741
    • (L)-isoleucine methyl ester
    • methyl (2S,3S)-2-amino-3-methylpentanoate
    • Methyl 2-amino-3-methylpentanoate, HCl
    • Methyl 2-amino-3-methylpentanoate #
    • EINECS 219-931-0
    • AKOS000302175
    • Isoleucine, methyl ester, L-
    • methyl (2S, 3S)-2-amino-3-methylpentanoate
    • E78452
    • (2S,3S)-2-Amino-3-methyl-pentanoic acidmethyl ester
    • Q27461445
    • methyl isoleucinate
    • DTXSID40948634
    • isoleucine, methyl ester
    • A898353
    • (2R,3S)-methyl 2-amino-3-methylpentanoate
    • J-521918
    • 2577-46-0
    • AMY13603
    • MDL： MFCD07698610
    • Inchi： 1S/C7H15NO2/c1-4-5(2)6(8)7(9)10-3/h5-6H,4,8H2,1-3H3/t5-,6-/m0/s1
    • InChI Key： YXMMTUJDQTVJEN-WDSKDSINSA-N
    • SMILES： O(C)C([C@H]([C@@H](C)CC)N)=O

Computed Properties

  • Exact Mass: 145.11000
  • Monoisotopic Mass: 145.11
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 4
  • Complexity: 114
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.9
  • Topological Polar Surface Area: 52.3A^2

Experimental Properties

  • Density: 0.955
  • Boiling Point: 169.203 ℃ at 760 mmHg
  • Flash Point: 42.7°C
  • Refractive Index: 1.435
  • PSA: 52.32000
  • LogP: 1.23310

(2S,3S)-Methyl 2-amino-3-methylpentanoate Security Information

  • Symbol: GHS07
  • Signal Word：Warning
  • Hazard Statement： H317
  • Warning Statement： P280
  • Hazardous Material transportation number：NONH for all modes of transport
  • WGK Germany：3
  • Hazard Category Code： 43
  • Safety Instruction： 36/37
  • Hazardous Material Identification： Xi

(2S,3S)-Methyl 2-amino-3-methylpentanoate 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%

(2S,3S)-Methyl 2-amino-3-methylpentanoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
M169087-1g
(2S,3S)-Methyl 2-amino-3-methylpentanoate
 2577-46-0 97%
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 ￥1306.90 2023-09-01
SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd.
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TRC
S686620-50mg
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 $110.00 2023-05-17
TRC
S686620-100mg
(2S,3S)-Methyl 2-Amino-3-methylpentanoate
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S686620-500mg
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S686620-10mg
(2S,3S)-Methyl 2-Amino-3-methylpentanoate
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eNovation Chemicals LLC
Y0980003-5g
(2S,3S)-methyl 2-amino-3-methylpentanoate
 2577-46-0 95%
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 $685 2024-08-02
eNovation Chemicals LLC
D135366-1g
methylL-isoleucinate HCl salt
 2577-46-0 95%
1g
 $228 2024-08-03
eNovation Chemicals LLC
D135366-5g
methylL-isoleucinate HCl salt
 2577-46-0 95%
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 $690 2024-08-03
Enamine
EN300-58836-0.05g
methyl (2S,3S)-2-amino-3-methylpentanoate
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(2S,3S)-Methyl 2-amino-3-methylpentanoate Related Literature

Related Categories

Additional information on (2S,3S)-Methyl 2-amino-3-methylpentanoate

Comprehensive Overview of (2S,3S)-Methyl 2-amino-3-methylpentanoate (CAS No. 2577-46-0)

(2S,3S)-Methyl 2-amino-3-methylpentanoate, with the CAS number 2577-46-0, is a chiral ester derivative of the amino acid valine. This compound has garnered significant attention in the fields of pharmaceutical synthesis, peptide chemistry, and asymmetric catalysis. Its unique stereochemistry and functional groups make it a valuable building block for the development of bioactive molecules, including drug intermediates and flavor enhancers. Researchers and industries are increasingly exploring its applications due to its high enantiomeric purity and versatility in organic transformations.

The growing interest in chiral compounds like (2S,3S)-Methyl 2-amino-3-methylpentanoate is driven by the demand for stereoselective synthesis in drug discovery. With the rise of personalized medicine and biocatalysis, this compound is often discussed in the context of green chemistry and sustainable manufacturing. Its role in producing non-natural amino acids and peptidomimetics has also made it a subject of study in biotechnology and material science.

One of the most frequently searched questions about CAS No. 2577-46-0 relates to its synthetic routes and industrial-scale production. Recent advancements in enzymatic resolution and transition metal catalysis have improved the efficiency of its synthesis, reducing costs and environmental impact. Additionally, its potential applications in nutraceuticals and cosmetic formulations have sparked discussions among formulators seeking natural-derived ingredients with high efficacy.

From a regulatory perspective, (2S,3S)-Methyl 2-amino-3-methylpentanoate is not classified as a hazardous material, making it a safer alternative for laboratory and industrial use. Its stability under standard conditions and compatibility with aqueous and organic solvents further enhance its practicality. As the scientific community continues to explore its potential, this compound is expected to play a pivotal role in the development of next-generation therapeutic agents and functional materials.

In summary, (2S,3S)-Methyl 2-amino-3-methylpentanoate (CAS No. 2577-46-0) represents a critical tool in modern chemistry, bridging the gap between academic research and industrial applications. Its relevance to drug development, sustainable chemistry, and biotechnology ensures its continued prominence in scientific literature and commercial markets.

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