Cas no 59850-77-0 (methyl 2-amino-3-(4-fluorophenyl)propanoate)

Methyl 2-amino-3-(4-fluorophenyl)propanoate is a fluorinated phenylalanine derivative with applications in pharmaceutical and organic synthesis. The compound features a methyl ester group and a primary amine, making it a versatile intermediate for peptide modifications and chiral synthesis. The 4-fluorophenyl moiety enhances its utility in medicinal chemistry, particularly in designing bioactive molecules with improved metabolic stability and binding affinity. Its ester functionality allows for straightforward derivatization, while the fluorine substitution offers electronic and steric tuning for structure-activity studies. This compound is valued for its synthetic flexibility and role in developing fluorinated analogs of amino acids and peptidomimetics. Proper handling under inert conditions is recommended due to its reactive amine group.
methyl 2-amino-3-(4-fluorophenyl)propanoate structure
59850-77-0 structure
Product Name:methyl 2-amino-3-(4-fluorophenyl)propanoate
CAS No:59850-77-0
MF:C10H12FNO2
MW:197.206186294556
CID:337097
PubChem ID:437626
Update Time:2025-10-28

methyl 2-amino-3-(4-fluorophenyl)propanoate Chemical and Physical Properties

Names and Identifiers

    • DL-Phenylalanine, 4-fluoro-, methyl ester
    • ethyl 2-amino-3-(4-fluorophenyl)propanoate
    • methyl 2-amino-3-(4-fluorophenyl)propanoate
    • SCHEMBL180100
    • AKOS013465358
    • Methyl 2-amino-3-(4-fluorophenyl)propionate
    • NCSHKOSBEYDZFY-UHFFFAOYSA-N
    • methyl2-amino-3-(4-fluorophenyl)propanoate
    • DTXSID90331350
    • EN300-149363
    • 2-Amino-3-(4-fluorophenyl)propionic acid methyl ester
    • 59850-77-0
    • Inchi: 1S/C10H12FNO2/c1-14-10(13)9(12)6-7-2-4-8(11)5-3-7/h2-5,9H,6,12H2,1H3
    • InChI Key: NCSHKOSBEYDZFY-UHFFFAOYSA-N
    • SMILES: FC1C=CC(=CC=1)CC(C(=O)OC)N

Computed Properties

  • Exact Mass: 197.08520679g/mol
  • Monoisotopic Mass: 197.08520679g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 191
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.7
  • Topological Polar Surface Area: 52.3?2

methyl 2-amino-3-(4-fluorophenyl)propanoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-149363-0.1g
methyl 2-amino-3-(4-fluorophenyl)propanoate
59850-77-0
0.1g
$62.0 2023-02-14
Enamine
EN300-149363-0.25g
methyl 2-amino-3-(4-fluorophenyl)propanoate
59850-77-0
0.25g
$65.0 2023-02-14
Enamine
EN300-149363-0.5g
methyl 2-amino-3-(4-fluorophenyl)propanoate
59850-77-0
0.5g
$67.0 2023-02-14
Enamine
EN300-149363-1.0g
methyl 2-amino-3-(4-fluorophenyl)propanoate
59850-77-0
1g
$0.0 2023-06-05
Enamine
EN300-149363-2.5g
methyl 2-amino-3-(4-fluorophenyl)propanoate
59850-77-0
2.5g
$142.0 2023-02-14
Enamine
EN300-149363-5.0g
methyl 2-amino-3-(4-fluorophenyl)propanoate
59850-77-0
5.0g
$251.0 2023-02-14
Enamine
EN300-149363-10.0g
methyl 2-amino-3-(4-fluorophenyl)propanoate
59850-77-0
10.0g
$431.0 2023-02-14
Enamine
EN300-149363-50mg
methyl 2-amino-3-(4-fluorophenyl)propanoate
59850-77-0
50mg
$59.0 2023-09-28
Enamine
EN300-149363-100mg
methyl 2-amino-3-(4-fluorophenyl)propanoate
59850-77-0
100mg
$62.0 2023-09-28
Enamine
EN300-149363-250mg
methyl 2-amino-3-(4-fluorophenyl)propanoate
59850-77-0
250mg
$65.0 2023-09-28

Additional information on methyl 2-amino-3-(4-fluorophenyl)propanoate

Methyl 2-Amino-3-(4-Fluorophenyl)Propanoate: A Comprehensive Overview

Methyl 2-amino-3-(4-fluorophenyl)propanoate, with the CAS number 59850-77-0, is a compound of significant interest in the fields of organic chemistry and pharmacology. This compound is characterized by its unique structure, which combines an amino group, a fluorophenyl substituent, and a methyl ester moiety. The combination of these functional groups makes it a versatile molecule with potential applications in drug design and chemical synthesis.

Recent studies have highlighted the importance of methyl 2-amino-3-(4-fluorophenyl)propanoate in the development of bioactive compounds. Researchers have explored its role as an intermediate in the synthesis of various pharmaceutical agents, particularly those targeting central nervous system disorders. The presence of the fluorophenyl group enhances the molecule's lipophilicity, which is crucial for its ability to cross biological membranes and interact with target receptors.

The synthesis of methyl 2-amino-3-(4-fluorophenyl)propanoate involves a multi-step process that typically begins with the preparation of the corresponding carboxylic acid derivative. This is followed by esterification to introduce the methyl group. The amino group is introduced via nucleophilic substitution or other suitable methods, depending on the starting materials and desired stereochemistry. The fluorophenyl substituent is incorporated through aromatic substitution reactions, often requiring specific catalysts to achieve high yields and selectivity.

One of the most promising applications of methyl 2-amino-3-(4-fluorophenyl)propanoate lies in its use as a building block for peptide-based drugs. Its amino group allows for easy incorporation into peptide chains, while the fluorophenyl group provides additional functionality for optimizing pharmacokinetic properties. Recent research has demonstrated its utility in constructing bioactive peptides with enhanced stability and bioavailability.

In addition to its role in drug development, methyl 2-amino-3-(4-fluorophenyl)propanoate has been investigated for its potential in materials science. Its ability to form stable amide bonds makes it a candidate for synthesizing novel polymers and materials with tailored properties. Researchers have explored its use in creating biodegradable polymers for biomedical applications, such as drug delivery systems and tissue engineering scaffolds.

The physical properties of methyl 2-amino-3-(4-fluorophenyl)propanoate are also worth noting. It exists as a crystalline solid at room temperature, with a melting point of approximately 125°C. Its solubility in common organic solvents such as dichloromethane and ethyl acetate makes it suitable for various synthetic procedures. The compound is stable under normal storage conditions but should be protected from moisture and light to prevent degradation.

From a toxicological perspective, methyl 2-amino-3-(4-fluorophenyl)propanoate has been subjected to preliminary safety assessments. Studies indicate that it exhibits low acute toxicity when administered orally or intravenously. However, further research is required to fully understand its long-term effects and potential for bioaccumulation.

In conclusion, methyl 2-amino-3-(4-fluorophenyl)propanoate (CAS No: 59850-77-0) is a versatile compound with diverse applications in organic synthesis, pharmacology, and materials science. Its unique structure and functional groups make it an invaluable tool for researchers seeking to develop innovative chemical entities. As ongoing studies continue to uncover new insights into its properties and potential uses, this compound is poised to play an increasingly important role in various scientific disciplines.

Recommended suppliers
Shenzhen Yaoyuan R&D Center Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shenzhen Yaoyuan R&D Center Co.,Ltd
Shenzhen GeneSeqTools Bioscience & Technology Co. Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shenzhen GeneSeqTools Bioscience & Technology Co. Ltd.
上海帛亦醫(yī)藥科技有限公司
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shandong Jing Kun Chemical Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shandong Jing Kun Chemical Co.,Ltd.
Shanghai Joy Biotech Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Joy Biotech Ltd