(S)-Methyl 2-(2-aminopropanamido)acetate

Base Information

• Chemical Name: (S)-Methyl 2-(2-aminopropanamido)acetate
• CAS No.: 51513-59-8
• Molecular Formula: C6H12N2O3
• Molecular Weight: 160.173
• Hs Code.: 2924199090
• DSSTox Substance ID: DTXSID80551686
• Wikidata: Q72436990
• Mol file: 51513-59-8.mol

Synonyms:51513-59-8;(S)-Methyl 2-(2-aminopropanamido)acetate;Methyl L-alanylglycinate;methyl 2-[[(2S)-2-aminopropanoyl]amino]acetate;L-Alanyl-glycine methyl ester;L-Alanylglycine methyl ester;H-Ala-Gly-OMe;(S)-Methyl2-(2-aminopropanamido)acetate;SCHEMBL26296364;DTXSID80551686;SEGPJFKYVJYBFH-BYPYZUCNSA-N;AMY13624;AKOS010388457;HY-W034292;CS-0084221;L10156;A828635;A1-04239;S-(2-Amino-propionylamino)-acetic acid methyl ester

Chemical Property of (S)-Methyl 2-(2-aminopropanamido)acetate

Chemical Property:

• Vapor Pressure: 0.00145mmHg at 25°C
• Refractive Index: 1.461
• Boiling Point: 296.3 °C at 760 mmHg
• Flash Point: 133 °C
• PSA: 81.42000
• Density: 1.135 g/cm³
• LogP: -0.28600
• Storage Temp.: 2-8°C
• XLogP3: -1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 160.08479225
• Heavy Atom Count: 11
• Complexity: 158

Purity/Quality:

98%,99%, ^*data from raw suppliers

(S)-Methyl 2-(2-aminopropanamido)acetate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (S)-Methyl 2-(2-aminopropanamido)acetate

There total 7 articles about (S)-Methyl 2-(2-aminopropanamido)acetate 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%

[Co(en)2(Ala-Gly-OMe)](CH3COO)3 → cobalt(II) sulfide + L-alanylglycine methyl ester (51513-59-8)

Guidance literature:

With hydrogen sulfide; pyridinium acetate; In water; byproducts: enH2(2+); Electrochem. Process; at -1.O V (vs. SCE at pH< 5, adjusted with nitric acid for 2 h, soln (pH 5.5) reduced and H2S bubbled for 20 min; precipitate filtered, from aq. solution dipeptide isolated by chromy.;

DOI:10.1021/ja00413a068

Reference yield: 85.0%

methyl 2-((2S)-2-((tert-butoxycarbonyl)amino)propanamido)acetate (26061-06-3,67706-13-2,28369-58-6) → L-alanylglycine methyl ester (51513-59-8)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 2h; Inert atmosphere;

DOI:10.1039/c9cc10043a

Reference yield:

Z-L-Ala-Gly-OMe (4840-29-3) → L-alanylglycine methyl ester (51513-59-8)

Guidance literature:

With hydrogenchloride; hydrogen; palladium; In methanol;

upstream raw materials:

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

Z-L-Ala-Gly-OMe

o-Nitro-phenylsulfenyl-Ala-Gly-OMe

Downstream raw materials:

L-alanylglycine diketopiperazine

Boc-Ser(Bzl)-Ala-Gly-OCH₃

Boc-Tyr(Bzl)-Ala-Ala-Gly-OMe

Boc-Tyr(Bzl)-Ala-Ala-Gly

Refernces

• 1、 Kaur, Baljit,Kaur, Manpreet,Kaur, Navjot,Garg, Saweta,Bhatti, Rajbir,Singh, Palwinder. "Engineered Substrate for Cyclooxygenase-2: A Pentapeptide Isoconformational to Arachidonic Acid for Managing Inflammation". . p. 6363 - 6376. Retrieved 2019/07/08.
• 2、 Bollu, Amarnath,Sharma, Nagendra K.. "Cleavable Amide Bond: Mechanistic Insight into Cleavable 4-Aminopyrazolyloxy Acetamide at Low pH". supporting information. . Retrieved 2019/05/08.