5-Cyano-2-hydroxypyrimidine

Base Information

• Chemical Name: 5-Cyano-2-hydroxypyrimidine
• CAS No.: 1753-49-7
• Molecular Formula: C₅H₃N₃O
• Molecular Weight: 121.098
• Hs Code.: 2933599090
• European Community (EC) Number: 815-627-2
• DSSTox Substance ID: DTXSID20518930
• Wikidata: Q82381794
• Mol file: 1753-49-7.mol

Synonyms:5-Cyano-2-hydroxypyrimidine;1753-49-7;2-hydroxypyrimidine-5-carbonitrile;2-OXO-1H-PYRIMIDINE-5-CARBONITRILE;2-Oxo-1,2-dihydropyrimidine-5-carbonitrile;5-cyanopyrimidinol;pyrimidinone-5-carbonitrile;SCHEMBL2115915;5-Pyrimidinecarbonitrile, 1,2-dihydro-2-oxo- (7CI,9CI);DTXSID20518930;VIALDVYHGXADJR-UHFFFAOYSA-N;AC4723;MFCD11109807;MFCD17015722;AKOS006309268;AKOS017344384;SB55817;SY019441;CS-0045924;5-Pyrimidinecarbonitrile, 1,2-dihydro-2-oxo-;A881583;J-517431

Chemical Property of 5-Cyano-2-hydroxypyrimidine

Chemical Property:

• Melting Point: 266-268 °C
• Boiling Point: 425.7 °C at 760 mmHg
• PKA: 7.22±0.10(Predicted)
• Flash Point: 211.2 °C
• PSA: 69.80000
• Density: 1.45 g/cm³
• LogP: 0.05388
• Storage Temp.: 2-8°C
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 121.027611728
• Heavy Atom Count: 9
• Complexity: 242

Purity/Quality:

97% ^*data from raw suppliers

5-Cyano-2-hydroxypyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=NC(=O)N1)C#N

Technology Process of 5-Cyano-2-hydroxypyrimidine

There total 5 articles about 5-Cyano-2-hydroxypyrimidine 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:

cyanoacetic acid amide (107-91-5) → 2-Hydroxy-5-cyanopyrimidin (1753-49-7)

Guidance literature:

With hydrogenchloride; sodium methylate; In methanol; 1,2-dimethoxyethane; water;

Reference yield:

2-(methylsulfanyl)pyrimidine-5-carbonitrile (38275-43-3) → 5-cyanopyrimidin-2-one (1753-49-7)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane; water; for 0.25h; Ambient temperature;

Reference yield:

4-chloro-5-cyano-2-methylthiopyrimidine (33089-15-5) → 5-cyanopyrimidin-2-one (1753-49-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 67 percent / Zn, CH₃COOH / ethanol; H₂O / 4.5 h / Ambient temperature

2: 2 M NaOH / dioxane; H₂O / 0.25 h / Ambient temperature

With sodium hydroxide; acetic acid; zinc; In 1,4-dioxane; ethanol; water;

upstream raw materials:

2-(methylsulfanyl)pyrimidine-5-carbonitrile

4-chloro-5-cyano-2-methylthiopyrimidine

cyanoacetic acid amide

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