2-[[2-[[(2S)-2-azaniumylpropanoyl]amino]acetyl]amino]acetate

Base Information

• Chemical Name: 2-[[2-[[(2S)-2-azaniumylpropanoyl]amino]acetyl]amino]acetate
• CAS No.: 3146-40-5
• Molecular Formula: C7H13 N3 O4
• Molecular Weight: 203.198
• Hs Code.: 2924199090
• Mol file: 3146-40-5.mol

Synonyms:

Chemical Property of 2-[[2-[[(2S)-2-azaniumylpropanoyl]amino]acetyl]amino]acetate

Chemical Property:

• Vapor Pressure: 3.53E-16mmHg at 25°C
• Melting Point: 220 °C
• Boiling Point: 604.6°Cat760mmHg
• PKA: 3.30±0.10(Predicted)
• Flash Point: 319.5°C
• PSA: 121.52000
• Density: 1.314g/cm³
• LogP: -0.86730
• Storage Temp.: -15°C
• XLogP3: -3.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 203.09060590
• Heavy Atom Count: 14
• Complexity: 236

Purity/Quality:

99%+, ^*data from raw suppliers

ALA-GLY-GLY 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)NCC(=O)NCC(=O)[O-])[NH3+]
• Isomeric SMILES: C[C@@H](C(=O)NCC(=O)NCC(=O)[O-])[NH3+]

Technology Process of 2-[[2-[[(2S)-2-azaniumylpropanoyl]amino]acetyl]amino]acetate

There total 3 articles about 2-[[2-[[(2S)-2-azaniumylpropanoyl]amino]acetyl]amino]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:

N-benzyloxycarbonyl-L-alanyl-glycyl-glycine (21929-69-1) → L-alanylglycylglycine (3146-40-5)

Guidance literature:

With hydrogen; In methanol;

DOI:10.1002/oms.1210270618

Reference yield:

→ L-alanylglycylglycine (3146-40-5)

Guidance literature:

With methanol; palladium; acetic acid; Hydrogenolyse;

Reference yield:

N-(fluoren-9-ylmethoxycarbonyl)glycine (29022-11-5) + N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-alanine (35661-39-3,136132-75-7) → L-alanylglycylglycine (3146-40-5)

Guidance literature:

Multistep reaction.;

DOI:10.1021/ja074244w

upstream raw materials:

N-benzyloxycarbonyl-L-alanyl-glycyl-glycine

N-(fluoren-9-ylmethoxycarbonyl)glycine

N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-alanine

Downstream raw materials:

N^α-Z-L-tryptophyl-L-alanyl-glycyl-glycine

Refernces

• 1、 Mehta, Manish A.,Eddy, Matthew T.,McNeill, Seth A.,Mills, Frank D.,Long, Joanna R.. "Determination of peptide backbone torsion angles using double-quantum dipolar recoupling solid-state NMR spectroscopy". . p. 2202 - 2212. Retrieved 2008/09/18.