Methyl 2-amino-2-cyanoacetate

Base Information

• Chemical Name: Methyl 2-amino-2-cyanoacetate
• CAS No.: 52486-70-1
• Molecular Formula: C4H6N2O2
• Molecular Weight: 114.104
• DSSTox Substance ID: DTXSID70576489
• Mol file: 52486-70-1.mol

Synonyms:Methyl 2-amino-2-cyanoacetate;52486-70-1;Acetic acid, aminocyano-, methyl ester;Methyl 3-nitriloalaninate;Methyl2-amino-2-cyanoacetate;SCHEMBL8448263;DTXSID70576489;AKOS006342454;CS-0301815;EN300-102239

Chemical Property of Methyl 2-amino-2-cyanoacetate

Chemical Property:

• Boiling Point: 191.5±25.0 °C(Predicted)
• PKA: 2.66±0.50(Predicted)
• PSA: 76.11000
• Density: 1.194±0.06 g/cm3(Predicted)
• LogP: -0.28942
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 114.042927438
• Heavy Atom Count: 8
• Complexity: 134

Purity/Quality:

99% ^*data from raw suppliers

methyl2-amino-2-cyanoacetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C(C#N)N

Technology Process of Methyl 2-amino-2-cyanoacetate

There total 2 articles about Methyl 2-amino-2-cyanoacetate 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:

methyl 2-nitroso-2-cyanoacetate → amino-2 cyano-2 acetate de methyle (52486-70-1)

Guidance literature:

With hydrogen; platinum; at 50 - 80 ℃; under 7500.75 - 15001.5 Torr; Reagent/catalyst; Temperature;

Reference yield:

methyl 2-cyano-2-hydroxyiminoacetate (61295-92-9,127745-39-5) → amino-2 cyano-2 acetate de methyle (52486-70-1)

Guidance literature:

With aluminium amalgam; In methanol; water;

Reference yield:

amino-2 cyano-2 acetate de methyle (52486-70-1) + guanidine nitrate (113-00-8) → 2,5,6-triamino-4-hydroxypyrimidine (1004-75-7)

Guidance literature:

at -20 - 100 ℃;

upstream raw materials:

methyl 2-cyano-2-hydroxyiminoacetate

Downstream raw materials:

5-amino-2-(tri-O-benzoyl-β-D-ribofuranosyl)-1(3)H-imidazole-4-carboxylic acid methyl ester

2,5,6-triamino-4-hydroxypyrimidine

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