4-Aminopyrimidine-5-carbonitrile

Base Information

• Chemical Name: 4-Aminopyrimidine-5-carbonitrile
• CAS No.: 16357-69-0
• Molecular Formula: C5H4N4
• Molecular Weight: 120.114
• Hs Code.: 29335990
• European Community (EC) Number: 627-483-6
• DSSTox Substance ID: DTXSID60353201
• Nikkaji Number: J254.887I
• Wikidata: Q72441778
• Mol file: 16357-69-0.mol

Synonyms:4-amino-5-pyrimidinecarbonitrile

Chemical Property of 4-Aminopyrimidine-5-carbonitrile

Chemical Property:

• Vapor Pressure: 3.05E-05mmHg at 25°C
• Melting Point: 251-255 °C(lit.)
• Refractive Index: 1.6
• Boiling Point: 355.786 °C at 760 mmHg
• PKA: 2.60±0.10(Predicted)
• Flash Point: 168.974 °C
• PSA: 75.59000
• Density: 1.346 g/cm³
• LogP: 0.51168
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Sensitive.: Moisture Sensitive
• Solubility.: DCM, DMSO, DMF, Methanol
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 120.043596145
• Heavy Atom Count: 9
• Complexity: 135

Purity/Quality:

99%, ^*data from raw suppliers

4-Amino-pyrimidine-5-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-37/38-41-43
• Safety Statements: 26-36/37/39-36/37-9

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=NC=N1)N)C#N
• Uses: 4-Amino-5-pyrimidinecarbonitrile may be used as a monodentate ligand to prepare metal complexes of Co(II), Ni(II), Cu(II) and Pd(II) ions. It may be used as a reactant to prepare 1H-pyrimido[4,5-d]pyrimidine-2,4-dione.

Technology Process of 4-Aminopyrimidine-5-carbonitrile

There total 22 articles about 4-Aminopyrimidine-5-carbonitrile 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: 56.8%

formimidamide acetate + malononitrile (109-77-3) → 4-amino-5-cyanopyrimidine (16357-69-0)

Guidance literature:

With sodium methylate; In methanol; at 20 ℃;

Reference yield: 56.0%

3,3-Bis(dimethylamino)acrylonitril (28112-11-0) + formamidine acetic acid (3473-63-0) → 4-amino-5-cyanopyrimidine (16357-69-0)

Guidance literature:

at 110 ℃; for 0.5h;

Reference yield: 52.0%

4-amino-2-chloropyrimidine-5-carbonitrile (94741-69-2) → 4-amino-5-cyanopyrimidine (16357-69-0)

Guidance literature:

With hydrogen; triethylamine; 5% Pd on active carbon; In methanol; for 3.5h; under 1551.4 Torr; Ambient temperature;

upstream raw materials:

thiocarboxamide

sodium ethanolate

aminomethylene-malononitrile

ethanol

Downstream raw materials:

4-aminopyrimido(5,5-d)pyrimidine

4-Amino-5-aminomethyl-pyrimidin

4-amino-pyrimidin-5-carboxylic acid

4-aminopyrimidine-5-carbothioamide

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