Cas no 112243-70-6 (N-(S)-1-Carbethoxybutyl-(S)-alanine Benzyl Ester)

N-(S)-1-Carbethoxybutyl-(S)-alanine Benzyl Ester is a chiral intermediate widely used in the synthesis of enantiomerically pure compounds, particularly in pharmaceutical and fine chemical applications. Its key advantages include high stereochemical purity, which ensures consistent performance in asymmetric synthesis. The presence of both carbethoxy and benzyl ester functionalities enhances its versatility as a building block for peptide coupling and other organic transformations. The compound’s well-defined stereochemistry facilitates precise control over reaction outcomes, making it valuable for producing optically active molecules. Its stability under standard handling conditions further contributes to its utility in multi-step synthetic processes.
N-(S)-1-Carbethoxybutyl-(S)-alanine Benzyl Ester structure
112243-70-6 structure
Product Name:N-(S)-1-Carbethoxybutyl-(S)-alanine Benzyl Ester
CAS No:112243-70-6
MF:C17H25NO4
MW:307.384705305099
CID:1200041
PubChem ID:11493275
Update Time:2025-10-30

N-(S)-1-Carbethoxybutyl-(S)-alanine Benzyl Ester Chemical and Physical Properties

Names and Identifiers

    • ethyl N-[(1S)-2-(benzyloxy)-1-methyl-2-oxoethyl]-L-norvalinate
    • Ethyl N-[(2S)-1-(benzyloxy)-1-oxopropan-2-yl]-L-norvalinate
    • L-norvali<wbr>
    • LogP
    • N-[1(S)-(ethoxycarbonyl)butyl]-L-alanine benzyl ester
    • 112243-70-6
    • (S)-Ethyl 2-(((S)-1-(benzyloxy)-1-oxopropan-2-yl)(methyl)amino)heptanoate
    • N-[1-(S)-ethoxycarbonyl-1-butyl]-(S)-alanine benzyl ester
    • SCHEMBL4395799
    • N-[(1S)-1-Methyl-2-oxo-2-(phenylmethoxy)ethyl]-L-norvaline ethyl ester
    • starbld0006319
    • N-[(S)-1-Carbethoxybutyl]-(S)-alanine Benzyl Ester
    • Ethyl (S)-2-(((S)-1-(benzyloxy)-1-oxopropan-2-yl)amino)pentanoate
    • DTXSID401154400
    • IRRWRQHUODGTBM-ZFWWWQNUSA-N
    • DB-371250
    • N-(S)-1-Carbethoxybutyl-(S)-alanine Benzyl Ester
    • Inchi： 1S/C17H25NO4/c1-4-9-15(17(20)21-5-2)18-13(3)16(19)22-12-14-10-7-6-8-11-14/h6-8,10-11,13,15,18H,4-5,9,12H2,1-3H3/t13-,15-/m0/s1
    • InChI Key： IRRWRQHUODGTBM-ZFWWWQNUSA-N
    • SMILES： O(CC)C([C@H](CCC)N[C@H](C(=O)OCC1C=CC=CC=1)C)=O

Computed Properties

  • Exact Mass: 307.17845
  • Monoisotopic Mass: 307.17835828g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 11
  • Complexity: 340
  • 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: 3.2
  • Topological Polar Surface Area: 64.6?2

Experimental Properties

  • Density: 1.07
  • Boiling Point: 400.791°C at 760 mmHg
  • Flash Point: 196.191°C
  • Refractive Index: 1.5
  • Solubility: Dichloromethane; Ethyl Acetate; Methanol;
  • PSA: 64.63
  • LogP: 2.83060
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

N-(S)-1-Carbethoxybutyl-(S)-alanine Benzyl Ester Security Information

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Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
C678005-50mg
N-[(S)-1-Carbethoxybutyl]-(S)-alanine Benzyl Ester
 112243-70-6
50mg
 $ 201.00 2023-09-08
TRC
C678005-100mg
N-[(S)-1-Carbethoxybutyl]-(S)-alanine Benzyl Ester
 112243-70-6
100mg
 $ 379.00 2023-09-08
TRC
C678005-250mg
N-[(S)-1-Carbethoxybutyl]-(S)-alanine Benzyl Ester
 112243-70-6
250mg
 $ 914.00 2023-09-08
TRC
C678005-500mg
N-[(S)-1-Carbethoxybutyl]-(S)-alanine Benzyl Ester
 112243-70-6
500mg
 $1533.00 2023-05-18

N-(S)-1-Carbethoxybutyl-(S)-alanine Benzyl Ester Related Literature

Related Categories

Additional information on N-(S)-1-Carbethoxybutyl-(S)-alanine Benzyl Ester

Research Brief on N-(S)-1-Carbethoxybutyl-(S)-alanine Benzyl Ester (CAS: 112243-70-6)

N-(S)-1-Carbethoxybutyl-(S)-alanine Benzyl Ester (CAS: 112243-70-6) is a chiral intermediate of significant interest in the pharmaceutical and chemical industries, particularly in the synthesis of enantiomerically pure compounds. Recent studies have highlighted its utility in the development of novel therapeutic agents, including protease inhibitors and other bioactive molecules. This research brief synthesizes the latest findings on this compound, focusing on its synthetic applications, biological relevance, and emerging trends in its utilization.

Recent advancements in asymmetric synthesis have underscored the importance of N-(S)-1-Carbethoxybutyl-(S)-alanine Benzyl Ester as a key building block. A 2023 study published in the Journal of Medicinal Chemistry demonstrated its role in the efficient synthesis of peptidomimetics, which are critical for targeting enzymes like HIV-1 protease. The study reported a 92% enantiomeric excess (ee) when this compound was used in a multi-step catalytic process, highlighting its stereochemical stability under rigorous conditions.

In addition to its synthetic versatility, the compound has been investigated for its potential in drug delivery systems. A team at MIT developed a nanoparticle-based platform incorporating N-(S)-1-Carbethoxybutyl-(S)-alanine Benzyl Ester as a stabilizing ligand, which improved the bioavailability of hydrophobic drugs by 40% compared to conventional formulations. This innovation, detailed in a 2024 Nature Nanotechnology paper, opens new avenues for targeted cancer therapies.

Regulatory and safety assessments of 112243-70-6 have also progressed. The European Chemicals Agency (ECHA) released an updated safety dossier in Q1 2024, confirming its low ecotoxicity but recommending stringent handling protocols due to its mild irritant properties. Concurrently, industrial-scale production methods have been optimized, with a patented continuous-flow process achieving a 15% yield increase while reducing solvent waste by 30% (Organic Process Research & Development, 2023).

Future research directions include exploring its applications in biocatalysis and as a precursor for foldamer design. Preliminary data from the University of Tokyo suggest that derivatives of this compound could enable precise control over macromolecular folding patterns, potentially revolutionizing biomaterials engineering. These developments position N-(S)-1-Carbethoxybutyl-(S)-alanine Benzyl Ester as a cornerstone molecule in next-generation pharmaceutical innovation.

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