4562-27-0

Basic information

• Product Name: 4-Pyrimidinol
• Synonyms: 4-HYDROXYPYRIMIDINE, 98+%;4-Oxopyrimidine;4-Oxypyrimidine;6-Hydroxypyrimidine;Deaminoisocytosine;4-Pyrimidinol~4-Pyrimidone;1H-pyrimidin-4-one;4(1H)-Pyrimidinone (6CI,8CI,9CI)
• CAS NO: 4562-27-0
• Molecular Formula: C₄H₄N₂O
• Molecular Weight: 96.09
• EINECS: 224-932-4
• Product Categories: PYRIMIDINE;Pyridines, Pyrimidines, Purines and Pteredines;Building Blocks;C4 to C5;Chemical Synthesis;Heterocyclic Building Blocks;Pyrimidines
• Mol File: 4562-27-0.mol
• Article Data: 3

Chemical Properties

• Melting Point: 163-167 °C
• Boiling Point: 184.65 °C at 760 mmHg
• Flash Point: 65.475 °C
• Appearance: /Solid
• Density: 1.28
• Vapor Pressure: 0.725mmHg at 25°C
• Refractive Index: 1.596
• Storage Temp.: 2-8°C
• PKA: 9.02±0.40(Predicted)
• BRN: 609975
• CAS DataBase Reference: 4-Pyrimidinol(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Pyrimidinol(4562-27-0)
• EPA Substance Registry System: 4-Pyrimidinol(4562-27-0)

Safety Data

• Hazard Codes: Xn
• Statements: 36/37/38-40
• Safety Statements: 22-24/25-36-26
• WGK Germany: 3
• RTECS: UW7350100
• TSCA: Yes
• Hazardous Substances Data: 4562-27-0(Hazardous Substances Data)

Usage

Chemical Properties

Light yellow crystalline

Safety Profile

Mutation data reported. When heated to decomposition it emits toxic vapors of NOx

Purification Methods

It crystallises from *benzene or ethyl acetate. The picrate has m 164-166o and crystallises from EtOH [Brown et al. J Chem Soc 4035 1955, Beilstein 24 III/IV 171.]

InChI:InChI=1/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)

Upstream product

• 51953-17-4 Pyrimidin-4-ol 

Downstream Products

• 197228-37-8 5-chloropyrimidone hydrochloride 
• 51953-17-4 Pyrimidin-4-ol 
• 66-22-8 uracil 
• 51953-18-5 pyrimidine-4(3H)-one 
• 857042-41-2 3-phenyl-5,7a-dihydroisoxazolo[5,4-d]pyrimidin-4(3aH)-one 
• 857042-43-4 5-[(Z)-(hydroxyimino)(phenyl)methyl]pyrimidin-4(3H)-one 

Relevant articles and documents

Combined matrix-isolation FT-IR and ab initio 6-31++G** study of H-bonded complexes between water and molecules modelling cytosine or isocytosine

A step-by-step experimental and ab initio SCF/6-31++G** procedure is described for the interpretation of the matrix FT-IR spectra of H-bonded complexes of cytosine or isocytosine with water.The method involves a detailed study of several compounds, each modelling one or a few cytosine sites and/or tautomers in order of increasing complexity.Results are presented for tautomerization processes in 2-OH-pyridine, 4-OH-pyrimidine and isocytosine, and for H-bonded complexes of water with pyrimidine, 4-OH-pyridine and 4-NH2-pyridine.The whole series of obtained results has allowed the setting up of a large-scale vibration correlation diagram for water complexed with N- and O-bases.It also allows some new, important conclusions to be drawn about the major problem of scaling ab initio predicted frequencies for anharmonic proton-donor vibrational modes.

1-Substituted-2-imino-pyrido[2,3-d]pyrimidin-4(1H)-ones

ANTI-HISTAMINICS OF THE FORMULA: SPC1 wherein R1 is alkyl, alkenyl or phenalkyl, R2 and R3 are hydrogen, alkyl or alkenyl, and R is an optional substituent, are prepared by reacting a 3,4-dihydro-1,3-dioxo-1H-pyrido [2,3-d][1,3]oxazine (a 3-azaisatoic anhydride) with a S-methyl-thiopseudourea.