AC-ALA-OME

Base Information

• Chemical Name: AC-ALA-OME
• CAS No.: 3619-02-1
• Molecular Formula: C6H11 N O3
• Molecular Weight: 145.158
• Hs Code.: 2924199090
• Mol file: 3619-02-1.mol

Synonyms:Alanine,N-acetyl-, methyl ester, L- (8CI); (S)-Methyl 2-(acetylamino)propanoate;(S)-N-(2-Methoxy-1-methyl-2-oxoethyl)acetamide; (S)-N-Acetylalanine methylester; L-N-Acetylalanine methyl ester; Methyl L-N-acetylalaninate;N-Acetyl-L-alanine methyl ester; N-Acetylalanine methyl ester

Chemical Property of AC-ALA-OME

Chemical Property:

• Vapor Pressure: 0.0209mmHg at 25°C
• Refractive Index: 1.426
• Boiling Point: 251.1oC at 760 mmHg
• PKA: 14.78±0.46(Predicted)
• Flash Point: 105.7oC
• PSA: 55.40000
• Density: 1.056g/cm3
• LogP: 0.07490
• Storage Temp.: Store at RT.

Purity/Quality:

97% ^*data from raw suppliers

N-Acetyl-L-alanine Methyl Ester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of AC-ALA-OME

There total 11 articles about AC-ALA-OME 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%

Methyl 2-acetamidoacrylate (35356-70-8) → (S)-N-acetylalanine methyl ester (3619-02-1) + Methyl (R)-N-acetylalaninate (19914-36-4)

Guidance literature:

With hydrogen; rhodium(I)-bis(1,5-cyclooctadiene) tetrafluoroborate; (2R,2'R)-bis(diphenylphosphino)-(1R,1'R)-dicyclopentane; In tetrahydrofuran; at 20 ℃; for 24h; under 750.075 Torr;

Reference yield:

L-Alanine methyl ester (10065-72-2) + 4-nitrophenol acetate (830-03-5) → 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + (S)-N-acetylalanine methyl ester (3619-02-1)

Guidance literature:

β‐cyclodextrin; In water; dimethyl sulfoxide; at 25 ℃; Rate constant; Mechanism; various conditions;

Reference yield:

Methyl 2-acetamidoacrylate (35356-70-8) + Cyclopent-3-ene-1,1-dicarboxylic acid diethyl ester (21622-00-4) → (S)-N-acetylalanine methyl ester (3619-02-1) + cyclopentane-1,1-dicarboxylic acid diethyl ester (4167-77-5) + Methyl (R)-N-acetylalaninate (19914-36-4)

Guidance literature:

With Hoveyda-Grubbs catalyst second generation; hydrogen; (S)-(1,1'-binaphthalene)-2,2'-diylbis(diphenylphosphine); In isopropyl alcohol; at 20 ℃; for 16h; under 18751.9 Torr; Inert atmosphere;

DOI:10.1002/adsc.201500359

upstream raw materials:

diazomethane

N-Acetamidoacrylic acid

Methyl 2-acetamidoacrylate

L-Alanine methyl ester

Downstream raw materials:

L-alanin

(S)-acetamidoalanine

pyruvic acid methyl ester

N-thioacetyl-L-alanine methyl ester

Refernces

• 1、 Sen, Anirban,Kumar, Rohit,Pandey, Swechchha,Vipin Raj,Kumar, Pawan,Vanka, Kumar,Chikkali, Samir H.. "Mechanistically Guided One Pot Synthesis of Phosphine-Phosphite and Its Implication in Asymmetric Hydrogenation". supporting information. . Retrieved 2022/01/11.
• 2、 Wawrzyniak, Piotr,Kindermann, Markus K.,Thede, Gabriele,Thede, Richard,Jones, Peter G.,Enthaler, Stephan,Junge, Kathrin,Beller, Matthias,Heinicke, Joachim W.. "2-(1S)-Camphanoyloxy-2′-phosphanylbiphenyl Ligands – Synthesis, Structure, and Preliminary Tests in Transition-Metal Catalysis". supporting information. p. 2762 - 2773. Retrieved 2017/06/06.