(S)-Methyl 2-((S)-2-aminopropanamido)propanoate hydrochloride

Base Information

• Chemical Name: (S)-Methyl 2-((S)-2-aminopropanamido)propanoate hydrochloride
• CAS No.: 41036-19-5
• Molecular Formula: C7H14 N2 O3 . Cl H
• Molecular Weight: 210.661
• Hs Code.: 2924199090
• European Community (EC) Number: 831-614-4
• DSSTox Substance ID: DTXSID00553440
• Mol file: 41036-19-5.mol

Synonyms:41036-19-5;(S)-Methyl 2-((S)-2-aminopropanamido)propanoate hydrochloride;H-ALA-ALA-OME HCL;H-Ala-Ala-OMe.HCl;H-Ala-Ala-OMe hydrochloride;methyl (2S)-2-[(2S)-2-aminopropanamido]propanoate hydrochloride;methyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoate;hydrochloride;H-Ala-Ala-OMe . HCl;SCHEMBL3883130;DTXSID00553440;MFCD00237711;BS-28147;E78489;EN300-100802;Methyl L-alanyl-L-alaninate--hydrogen chloride (1/1)

Chemical Property of (S)-Methyl 2-((S)-2-aminopropanamido)propanoate hydrochloride

Chemical Property:

• PSA: 81.42000
• LogP: 0.90450
• Storage Temp.: -15°C
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 210.0771200
• Heavy Atom Count: 13
• Complexity: 182

Purity/Quality:

99% ^*data from raw suppliers

H-Ala-Ala-OMe.HCl 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)NC(C)C(=O)OC)N.Cl
• Isomeric SMILES: C[C@@H](C(=O)N[C@@H](C)C(=O)OC)N.Cl

Technology Process of (S)-Methyl 2-((S)-2-aminopropanamido)propanoate hydrochloride

There total 3 articles about (S)-Methyl 2-((S)-2-aminopropanamido)propanoate hydrochloride 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%

(S)-methyl 2-((S)-2-((tert-butoxycarbonyl)amino)propanamido)propanoate (19794-10-6,51513-86-1,59602-19-6,71257-75-5,71257-76-6) → L-alanyl-alanine methylester hydrochloride (41036-19-5,105328-90-3)

Guidance literature:

With hydrogenchloride; In ethyl acetate; at 0 ℃; for 2h;

DOI:10.1246/bcsj.67.2478

Reference yield: 100.0%

N-[(benzyloxy)carbonyl]-L-alanyl-L-alanine methyl ester (2483-51-4) → L-alanyl-alanine methylester hydrochloride (41036-19-5,105328-90-3)

Guidance literature:

With hydrogenchloride; hydrogen; palladium; In methanol;

Reference yield: 100.0%

methanol (67-56-1) + di-L-alanine (1948-31-8,110652-05-6,210687-33-5,2392-61-2) → L-alanyl-alanine methylester hydrochloride (41036-19-5,105328-90-3)

Guidance literature:

With acetyl chloride;

DOI:10.1016/j.bmc.2008.08.031

upstream raw materials:

(S)-methyl 2-((S)-2-((tert-butoxycarbonyl)amino)propanamido)propanoate

N-[(benzyloxy)carbonyl]-L-alanyl-L-alanine methyl ester

methanol

di-L-alanine

Downstream raw materials:

N^α-tert-butoxycarbonyl-L-alanyl-L-alanyl-L-alanine methyl ester

<1-(Biphenyl-4-yl)-1-methylethoxycarbonyl>-alanyl-alanyl-alanin-methylester

N-[(benzyloxy)carbonyl]-L-alanyl-L-alanyl-L-alanine methyl ester

Z-Ala₄-OMe

Refernces

• 1、 Nasief, Nader N.,Hangauer, David. "Additivity or cooperativity: Which model can predict the influence of simultaneous incorporation of two or more functionalities in a ligand molecule?". . p. 897 - 915. Retrieved 2015/05/27.
• 2、 Monney, Angele,Nastri, Flavia,Albrecht, Martin. "Peptide-tethered monodentate and chelating histidylidene metal complexes: Synthesis and application in catalytic hydrosilylation". supporting information. p. 5655 - 5660. Retrieved 2013/06/05.