N-(2-Cyanoethyl)-L-glutamine

Base Information

• Chemical Name: N-(2-Cyanoethyl)-L-glutamine
• CAS No.: 539-95-7
• Molecular Formula: C8H13N3O3
• Molecular Weight: 199.2071
• UNII: ZY06WW71NQ
• DSSTox Substance ID: DTXSID50202173
• Wikidata: Q83075446
• Mol file: 539-95-7.mol

Synonyms:Lathyrus factor;N-(2-Cyanoethyl)-L-glutamine;L-Glutamine, N-(2-cyanoethyl)-;ZY06WW71NQ;Glutamine, N-(2-cyanoethyl)-, L-;UNII-ZY06WW71NQ;539-95-7;C8H13N3O3;N-(2-cyanoethyl)glutamine;CYANOETHYL)-L-GLUTAMINE;DTXSID50202173;GLUTAMINE, N-(2-CYANOETHYL)-, L- N-(2-;.BETA.-(N-(.GAMMA.-L-GLUTAMYL)AMINO)PROPIONITRILE

Chemical Property of N-(2-Cyanoethyl)-L-glutamine

Chemical Property:

• Vapor Pressure: 9.74E-14mmHg at 25°C
• Boiling Point: 554.1°C at 760 mmHg
• Flash Point: 288.9°C
• Density: 1.256g/cm³
• XLogP3: -4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 199.09569129
• Heavy Atom Count: 14
• Complexity: 256

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CNC(CCC(=O)N)C(=O)O)C#N
• Isomeric SMILES: C(CN[C@@H](CCC(=O)N)C(=O)O)C#N

Technology Process of N-(2-Cyanoethyl)-L-glutamine

There total 3 articles about N-(2-Cyanoethyl)-L-glutamine 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:

L-glutamic acid (56-86-0,21675-62-7,23009-64-5,25104-13-6,84960-48-5,25513-46-6) → N-L-γ-glutamyl-β-alanine nitrile (539-95-7)

Guidance literature:

Multi-step reaction with 3 steps

1: acetic acid

2: acetic acid anhydride

3: dioxane / Behandeln des Reaktionsprodukts mit N₂H₄+H₂O in wss.Na₂CO₃

With 1,4-dioxane; acetic anhydride; acetic acid;

DOI:10.1021/ja01615a052

Reference yield:

N-phthaloyl-L-glutamic acid (340-90-9,2301-52-2) → N-L-γ-glutamyl-β-alanine nitrile (539-95-7)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid anhydride

2: dioxane / Behandeln des Reaktionsprodukts mit N₂H₄+H₂O in wss.Na₂CO₃

With 1,4-dioxane; acetic anhydride;

DOI:10.1021/ja01615a052

Reference yield:

2-cyanoethylamine (151-18-8,60585-38-8) + N-phthaloyl-L-glutamic anhydride (25830-77-7,3085-92-5) → N-L-γ-glutamyl-β-alanine nitrile (539-95-7)

Guidance literature:

With 1,4-dioxane; Behandeln des Reaktionsprodukts mit N₂H₄+H₂O in wss.Na₂CO₃;

DOI:10.1021/ja01615a052

upstream raw materials:

2-cyanoethylamine

N-phthaloyl-L-glutamic anhydride

L-glutamic acid

N-phthaloyl-L-glutamic acid