Methyl 2-aminopropanoate

Base Information

• Chemical Name: Methyl 2-aminopropanoate
• CAS No.: 7625-53-8
• Molecular Formula: C₄H₉NO₂
• Molecular Weight: 103.121
• European Community (EC) Number: 231-542-8
• DSSTox Substance ID: DTXSID401313787
• Nikkaji Number: J434.183J
• Mol file: 7625-53-8.mol

Synonyms:Methyl 2-aminopropanoate;7625-53-8;Methyl DL-alaninate;d,l-alanine methyl ester;EINECS 231-542-8;methyl alaninate hydrochloride;H-ALA-OME HYDROCHLORIDE;Methyl2-aminopropanoate;methyl 2-amino-propionate;DL-Alanine, methyl ester;SCHEMBL41892;DL-ALANINE METHYL ESTER;2-Aminopropionic acid methyl ester;DTXSID401313787;2-amino-propionic acid methyl ester;STK801446;AKOS001054256;AKOS017258979;Z56968898

Chemical Property of Methyl 2-aminopropanoate

Chemical Property:

• Boiling Point: 25 °C(Press: 0.4 Torr)
• PKA: 7.87±0.29(Predicted)
• PSA: 52.32000
• Density: 1.010±0.06 g/cm3(Predicted)
• LogP: 0.20690
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 103.063328530
• Heavy Atom Count: 7
• Complexity: 72.1

Purity/Quality:

99% ^*data from raw suppliers

DL-ALPHA-ALANINE METHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)OC)N

Technology Process of Methyl 2-aminopropanoate

There total 41 articles about Methyl 2-aminopropanoate 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%

methyl2-<(E)-phenylhydrazono>propionate (101137-66-0) → rac-Ala-OMe (7625-53-8,10065-72-2,21705-13-5)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; for 2.5h; under 3800 Torr; Ambient temperature;

DOI:10.1039/c39850001309

Reference yield: 91.0%

methanol (67-56-1) + rac-Ala-OH (302-72-7,25191-17-7,18875-37-1) → rac-Ala-OMe (7625-53-8,10065-72-2,21705-13-5)

Guidance literature:

With thionyl chloride; at 40 ℃; for 5h;

Reference yield: 67.0%

methyl 2-nitro-propionate (62013-44-9,6118-50-9) → rac-Ala-OMe (7625-53-8,10065-72-2,21705-13-5)

Guidance literature:

With ammonium formate; palladium on activated charcoal; In methanol; for 0.166667h; Ambient temperature;

DOI:10.1055/s-1986-31497

upstream raw materials:

methanol

6,6'-bis(α-alanylamino)-2,2'-bipyridine

methyl pyruvate oxime

methyl 2-nitro-propionate

Downstream raw materials:

N-(N-phenylsulfanylcarbonyl-glycyl)-alanine methyl ester

N-(N-benzyloxycarbonyl-L-leucyl)-D-alanine methyl ester

N-benzyloxycarbonyl-L-leucyl-L-alanine methyl ester

DL-alanine hydroxamic acid

Refernces

• 1、 -. "Resveratrol amino acid ester derivative and preparation method thereof". Paragraph 0059-0065. . Retrieved 2019/07/04.
• 2、 Liu, Shuai,Yosief, Hailemichael O.,Dai, Lingling,Huang, He,Dhawan, Gagan,Zhang, Xiaofeng,Muthengi, Alex M.,Roberts, Justin,Buckley, Dennis L.,Perry, Jennifer A.,Wu, Lei,Bradner, James E.,Qi, Jun,Zhang, Wei. "Structure-Guided Design and Development of Potent and Selective Dual Bromodomain 4 (BRD4)/Polo-like Kinase 1 (PLK1) Inhibitors". . p. 7785 - 7795. Retrieved 2018/09/13.