AC-THR-OME

Base Information

• Chemical Name: AC-THR-OME
• CAS No.: 2458-78-8
• Molecular Formula: C7H13 N O4
• Molecular Weight: 175.185
• Hs Code.: 2924199090
• Mol file: 2458-78-8.mol

Synonyms:N-Acetyl-L-threoninemethyl ester

Chemical Property of AC-THR-OME

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.457
• Boiling Point: 371.181°C at 760 mmHg
• PKA: 13.89±0.20(Predicted)
• Flash Point: 178.284°C
• PSA: 79.12000
• Density: 1.154g/cm³
• LogP: -0.11480
• Storage Temp.: Store at RT.

Purity/Quality:

97% ^*data from raw suppliers

Acetyl-L-threonine methyl ester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Acetyl-l-threonine Methyl Ester can be used for anti-odor compositions and therapeutic use

Technology Process of AC-THR-OME

There total 16 articles about AC-THR-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: 96.0%

threonine methyl ester hydrochloride (39994-75-7,60538-15-0,60538-18-3,62076-66-8,76419-75-5,79617-27-9,108724-12-5) → methyl N-acetyl-threoninate (2458-78-8,68168-93-4,68168-94-5,124044-17-3,136682-45-6)

Guidance literature:

With triethylamine; In tetrahydrofuran; for 4h; Ambient temperature;

Reference yield: 92.0%

L-threonine methyl ester hydrochloride (39994-75-7) + acetyl chloride (75-36-5) → methyl (2S,3R)-2-(acetylamino)-3-hydroxybutanoate (2458-78-8)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 13 ℃; Cooling with ice;

Reference yield:

methyl 2-acetamido-3-oxobutanoate (98432-01-0) → (2R,3S)-methyl 2-acetamido-3-hydroxybutanoate (68168-94-5) + (2R,3R)-methyl 2-acetamido-3-hydroxybutanoate (124044-17-3) + methyl (2S,3R)-2-(acetylamino)-3-hydroxybutanoate (2458-78-8)

Guidance literature:

With hydrogen; [(R)-BINAP]RuBr₂; at 15 ℃; for 50h; under 76000.1 Torr; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1021/ja00207a038

upstream raw materials:

diazomethane

N-acetyl-DL-theanine

methanol

threonine methyl ester hydrochloride

Downstream raw materials:

(Z)-methyl 2-acetamido-3-methoxyacrylate

N-acetyl-(E)-α-aminocrotonic acid methyl ester

(Z)-2-acetylamino-3-(4-trifluoromethylphenyl)but-2-enoic acid methyl ester

(2R,3S)-2-acetylamino-3-(4-trifluoromethylphenyl)butyric acid methyl ester