CID 10920717

Base Information

• Chemical Name: CID 10920717
• CAS No.: 1115-59-9
• Molecular Formula: C5H11NO2^.HCl
• Molecular Weight: 153.609
• Hs Code.: 29224995
• Mol file: 1115-59-9.mol

Synonyms:

Chemical Property of CID 10920717

Chemical Property:

• Appearance/Colour: White to off-white adhering crystalline powder
• Vapor Pressure: 11mmHg at 25°C
• Melting Point: 62 °C
• Boiling Point: 127.8 °C at 760 mmHg
• Flash Point: 3.5 °C
• PSA: 52.32000
• LogP: 1.39900
• Storage Temp.: 0-6°C
• Sensitive.: Hygroscopic
• Solubility.: 100g/l
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 153.0556563
• Heavy Atom Count: 9
• Complexity: 82.5

Purity/Quality:

99% ^*data from raw suppliers

L-Alanine ethyl ester hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC(=O)C(C)[NH3+].[Cl-]
• Isomeric SMILES: CCOC(=O)[C@H](C)[NH3+].[Cl-]
• Uses: L-Alanine Ethyl Ester Hydrochloride is used in the synthesis of nucleoside phosphoramidates as antiviral agents for human immunodeficiency and hepatitis B viruses. Also used in synthesis of enantiomerically pure amino acid ester isocyanates.

Technology Process of CID 10920717

There total 4 articles about CID 10920717 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

ethanol (64-17-5) + L-alanin (56-41-7,25191-17-7,18875-37-1) → (S)-alanine ethyl ester hydrochloride (1115-59-9)

Guidance literature:

With thionyl chloride; for 4h; Reflux;

DOI:10.1002/anie.202016589

Reference yield: 98.0%

L-alanin (56-41-7,25191-17-7,18875-37-1) → (S)-alanine ethyl ester hydrochloride (1115-59-9)

Guidance literature:

In ethanol;

Reference yield: 91.0%

ethyl 2-nitropropanoate → (S)-alanine ethyl ester hydrochloride (1115-59-9)

Guidance literature:

With hydrogenchloride; sodium tetrahydroborate; In tetrahydrofuran; water; at 20 ℃; for 2h; chemoselective reaction; Inert atmosphere; Green chemistry;

DOI:10.1002/anie.201604026

upstream raw materials:

ethanol

L-alanin

N-tert-butoxycarbonyl-L-alanine ethyl ester

Downstream raw materials:

N-(N²,N⁶-bis-benzyloxycarbonyl-L-lysyl)-L-alanine ethyl ester

5-<1-(S)-(1-Carbethoxy)ethyl>-1,3-dibenzylhexahydro-2-oxo-1,3,5-triazine

C₁₂H₁₆N₄O₃

N-(5-methyl-2-nitrobenzyl)-L-alanine ethyl ester

Refernces

• 1、 Baltina, L.A.,Ryzhova, S.A.,Vasil'eva, E.V.,Tolstikov, G.A.. "TRANSFORMATION OF GLYCYRRHIZIC ACID. VII. SYNTHESIS OF TRITERPENE GLYCOPEPTIDES CONTAINING ALKYL ESTERS OF L-AMINO ACIDS". . p. 238 - 244. Retrieved 1994.
• 2、 Moshikur, Rahman Md.,Chowdhury, Md. Raihan,Wakabayashi, Rie,Tahara, Yoshiro,Moniruzzaman, Muhammad,Goto, Masahiro. "Characterization and cytotoxicity evaluation of biocompatible amino acid esters used to convert salicylic acid into ionic liquids". . p. 31 - 38. Retrieved 2018.
• 3、 Yao, Peiyuan,Marshall, James R.,Xu, Zefei,Lim, Jesmine,Charnock, Simon J.,Zhu, Dunming,Turner, Nicholas J.. "Asymmetric Synthesis of N-Substituted α-Amino Esters from α-Ketoesters via Imine Reductase-Catalyzed Reductive Amination". supporting information. p. 8717 - 8721. Retrieved 2021/03/16.
• 4、 Bode, Moira L.,Coyanis, E. Mabel,Mosebi, Salerwe,Njengele, Zikhona,Rashamuse, Thompho J.,Sayed, Yasien. "Design, synthesis and biological evaluation of novel 2-(5-aryl-1H-imidazol-1-yl) derivatives as potential inhibitors of the HIV-1 Vpu and host BST-2 protein interaction". . . Retrieved 2020/02/13.