Cas no 3082-68-6 ((βR)-β-Aminobenzenepropanoic Acid Ethyl Ester)

(βR)-β-Aminobenzenepropanoic Acid Ethyl Ester is a chiral β-amino acid derivative with a stereochemically defined (R)-configuration at the β-carbon. This compound serves as a valuable intermediate in organic synthesis, particularly in the preparation of pharmaceuticals and bioactive molecules requiring enantioselective control. Its ethyl ester group enhances solubility in organic solvents, facilitating reactions such as peptide coupling or further functionalization. The β-amino acid scaffold is structurally versatile, enabling applications in drug design, including β-peptide synthesis or enzyme inhibitor development. The (R)-configuration ensures compatibility with stereospecific transformations, making it useful for asymmetric synthesis. High purity and well-defined stereochemistry are critical for reproducibility in research and industrial applications.
(βR)-β-Aminobenzenepropanoic Acid Ethyl Ester structure
3082-68-6 structure
Product Name:(βR)-β-Aminobenzenepropanoic Acid Ethyl Ester
CAS No:3082-68-6
MF:C11H15NO2
MW:193.242303133011
MDL:MFCD06761764
CID:294746
PubChem ID:915086
Update Time:2025-06-13

(βR)-β-Aminobenzenepropanoic Acid Ethyl Ester Chemical and Physical Properties

Names and Identifiers

    • (R)-Ethyl 3-amino-3-phenylpropanoate
    • (βR)-β-Aminobenzenepropanoic Acid Ethyl Ester
    • Benzenepropanoic acid, b-amino-, ethyl ester, (bR)-
    • ethyl (3R)-3-amino-3-phenylpropanoate
    • (R)-3-amino-3-phenylpropionic acid ethyl ester
    • (R)-3-amino-3-phenyl-propionic acid ethyl ester
    • (R)-3-Amino-3-phenyl-propionsaeure-aethylester
    • (R)-ethyl 3-amino-3-phenylpropionate
    • AC1LJ15I
    • AG-F-02222
    • AK-85309
    • ANW-66021
    • CTK4G5983
    • ethyl (R)-3-amino-3-phenylpropanoate
    • ethyl (R)-3-amino-3-phenylpropionate
    • SureCN1138682
    • (R)-BETA-PHENYLALANINE ETHYL ESTER
    • EN300-148322
    • J-018157
    • (R)-3-Phenyl-beta-alanine ethyl ester
    • SCHEMBL1138682
    • NUWRDXMXYDWUAN-SNVBAGLBSA-N
    • DTXSID40358774
    • AKOS010393668
    • (R)-3-Amino-3-phenylpropionicacidethylester
    • MFCD06761764
    • Benzenepropanoic acid, beta-amino-, ethyl ester, (betaR)-
    • (R)-Ethyl3-amino-3-phenylpropanoate
    • 3082-68-6
    • beta-phenylalanine Ethyl Ester
    • (R)-3-AMINO-3-PHENYLPROPANOIC ACID ETHYL ESTER
    • racemic beta-phenylalanine ethyl ester
    • (betaR)-beta-Aminobenzenepropanoic Acid Ethyl Ester
    • DB-336256
    • MDL: MFCD06761764
    • Inchi: 1S/C11H15NO2/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h3-7,10H,2,8,12H2,1H3/t10-/m1/s1
    • InChI Key: NUWRDXMXYDWUAN-SNVBAGLBSA-N
    • SMILES: O(CC)C(C[C@H](C1C=CC=CC=1)N)=O

Computed Properties

  • Exact Mass: 193.11000
  • Monoisotopic Mass: 193.110278721g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 5
  • Complexity: 176
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.6
  • Topological Polar Surface Area: 52.3?2

Experimental Properties

  • PSA: 52.32000
  • LogP: 2.33990

(βR)-β-Aminobenzenepropanoic Acid Ethyl Ester 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%

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(βR)-β-Aminobenzenepropanoic Acid Ethyl Ester Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:3082-68-6)(βR)-β-Aminobenzenepropanoic Acid Ethyl Ester
Order Number:A933003
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 15:09
Price ($):276.0

Additional information on (βR)-β-Aminobenzenepropanoic Acid Ethyl Ester

Exploring the Properties and Applications of (βR)-β-Aminobenzenepropanoic Acid Ethyl Ester (CAS No. 3082-68-6)

(βR)-β-Aminobenzenepropanoic Acid Ethyl Ester, with the CAS number 3082-68-6, is a specialized organic compound that has garnered significant attention in pharmaceutical and biochemical research. This ester derivative of β-aminobenzenepropanoic acid is characterized by its unique stereochemistry, which plays a critical role in its biological activity. Researchers are increasingly interested in this compound due to its potential applications in drug development, particularly in the design of chiral intermediates for active pharmaceutical ingredients (APIs).

The compound's molecular structure features an ethyl ester group attached to a β-aminobenzenepropanoic acid backbone, with the (βR)-configuration being a key determinant of its enantioselective properties. This specificity makes it a valuable building block in asymmetric synthesis, a hot topic in modern organic chemistry. Recent studies have explored its utility in creating peptidomimetics and other bioactive molecules, aligning with the growing demand for chiral drugs and green chemistry solutions.

In the context of user search trends, questions like "What is the role of chiral intermediates in drug synthesis?" or "How does CAS 3082-68-6 contribute to API development?" reflect the compound's relevance. Its synthetic versatility is often compared to other β-amino acid derivatives, a popular search term among chemists. Additionally, discussions around sustainable synthesis methods have put spotlight on compounds like this, as they can reduce waste in pharmaceutical manufacturing.

From a technical perspective, the compound's physicochemical properties—such as solubility, melting point, and stability—are frequently queried in academic and industrial settings. Its compatibility with enzymatic resolution techniques is another area of interest, especially for researchers working on biocatalysis projects. These aspects make it a recurring subject in patents and scientific literature, particularly in journals focusing on medicinal chemistry and process optimization.

The analytical characterization of (βR)-β-Aminobenzenepropanoic Acid Ethyl Ester typically involves advanced techniques like HPLC, NMR spectroscopy, and mass spectrometry, which are commonly searched in conjunction with the compound's CAS number. These methods are essential for verifying its enantiomeric purity, a critical quality attribute for regulatory compliance in pharmaceutical applications. Recent advancements in AI-driven molecular modeling have also sparked interest in predicting its behavior in complex reaction systems.

Looking ahead, the compound's potential extends beyond traditional pharmaceuticals. Its structural features make it a candidate for developing functional materials and smart polymers, areas that are gaining traction in materials science forums. As the scientific community continues to explore structure-activity relationships, 3082-68-6 remains a compound of significant interest, bridging the gap between academic research and industrial applications.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:3082-68-6)(βR)-β-Aminobenzenepropanoic Acid Ethyl Ester
A933003
Purity:99%
Quantity:1g
Price ($):276.0
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