Methyl 3-acetamidopropanoate

Base Information

• Chemical Name: Methyl 3-acetamidopropanoate
• CAS No.: 31295-20-2
• Molecular Formula: C₆H₁₁NO₃
• Molecular Weight: 145.158
• Hs Code.: 2924199090
• DSSTox Substance ID: DTXSID20511683
• Nikkaji Number: J441.005J
• Mol file: 31295-20-2.mol

Synonyms:methyl 3-acetamidopropanoate;31295-20-2;AC-BETA-ALA-OME;N-ACETYL-BETA-ALANINE METHYL ESTER;Ac-ss-Ala-OMe;methyl n-acetyl-beta-alaninate;SCHEMBL3407201;Acetyl-beta-alanine methyl ester;DTXSID20511683;FDIFXCFYMLCGNA-UHFFFAOYSA-N;MFCD00235892;AKOS008901964;AS-56708;FT-0653493;A820791

Chemical Property of Methyl 3-acetamidopropanoate

Chemical Property:

• Melting Point: 20-25℃
• PSA: 55.40000
• Density: 1.059
• LogP: 0.07650
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 145.07389321
• Heavy Atom Count: 10
• Complexity: 133

Purity/Quality:

99% ^*data from raw suppliers

Ac-beta-Ala-OMe ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NCCC(=O)OC

Technology Process of Methyl 3-acetamidopropanoate

There total 6 articles about Methyl 3-acetamidopropanoate 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: 93.0%

2-(Acetylamino)acrylsaeure-methylester (106014-56-6) → N-acetyl β-Ala-OMe (31295-20-2)

Guidance literature:

With hydrogen; platinum(IV) oxide; In acetic acid; ethyl acetate; for 2h; under 760 Torr; Ambient temperature;

Reference yield: 28.0%

methanol (67-56-1) + N-acetyl-β-alanine (3025-95-4) → N-acetyl β-Ala-OMe (31295-20-2)

Guidance literature:

With thionyl chloride; at 0 ℃; for 4h;

DOI:10.1039/d0ob01337d

Reference yield:

acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) → N-acetyl β-Ala-OMe (31295-20-2)

Guidance literature:

With ammonia; Umsetzung des Reaktionsprodukts mit Acetanhydrid;

upstream raw materials:

diazomethane

N-acetyl-β-alanine

acetic anhydride

methyl 2-cyanoacetate

Downstream raw materials:

3-amino-propionic acid ethyl ester

Refernces

• 1、 -. "ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE". . . Retrieved 2008/06/13.