Tetrahydro-2(1H)-pyrimidinone

Basic Information

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CAS Number

1852-17-1

Molecular Formula

C4H8N2O

Molecular Weight

100.12 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

263-267 °C <br />264-267 °C

Boiling Point

339°C at 760 mmHg

SMILES

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C1CNC(=O)NC1

InChI

InChI=1S/C4H8N2O/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)

InChIKey

NQPJDJVGBDHCAD-UHFFFAOYSA-N

LogP

-0.31070000000000014

Topological Polar Surface Area

41.13 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

73.8

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

CHEMBL12593
3,4,5,6-Tetrahydro-2(1H)-pyrimidinone
P0526
2-Ketohexahydropyrimidine
W-107785
FT-0648303
Hexahydropyrimidin-2-one
MFCD00014593
Perhydropyrimidin-2-one
V5992LV6AG
UNII-V5992LV6AG
HR-0301
2-Pyrimidinol,4,5,6-tetrahydro-
EN300-80795
2(1H)-Pyrimidinone, tetrahydro-
Tetrahydro-2-pyrimidinone
2(1H)-Tetrahydropyrimidinone
Tetrahydro-2-pyrimidone
N,N'-Propyleneurea
NSC-21315
N,N'-Trimethyleneurea, >=98.0%
AM90187
Propylene urea
Propyleneurea
Urea,N'-(1,3-propanediyl)-
Urea, 1,3-trimethylene-
2-(1H)-Tetrahydropyrimidinone
tetrahydropyrimidinone
EINECS 217-443-2
tetrahydropyrimidin-2(1H)-one
Pyrimidine, hexahydro-2-oxo-

MDL Number

MFCD00014593

Customs Code

2933599090

FAQ

What are the physical and chemical properties of Tetrahydro-2(1H)-pyrimidinone (CAS: 1852-17-1)?

Tetrahydro-2(1H)-pyrimidinone (CAS: 1852-17-1) is a colorless to yellowish liquid with a molecular weight of 104.12 g/mol. Its melting point is -23°C and boiling point is 144°C. It is moderately soluble in water but highly soluble in ethanol and acetonitrile. This compound is known for its reactivity with nucleophiles, making it useful in organic synthesis.

How is Tetrahydro-2(1H)-pyrimidinone (CAS: 1852-17-1) typically synthesized?

Tetrahydro-2(1H)-pyrimidinone (CAS: 1852-17-1) is commonly synthesized via the Mannich reaction involving formaldehyde, urea, and an acid catalyst. The reaction proceeds with a high yield and selectivity, producing the desired product in a clean and efficient manner.

What industries use Tetrahydro-2(1H)-pyrimidinone (CAS: 1852-17-1)?

Tetrahydro-2(1H)-pyrimidinone (CAS: 1852-17-1) finds applications in the pharmaceutical industry for synthesizing various drugs, in the polymer industry for modifying properties of polymers, and in the electronic industry for its use in semiconductor applications and as a component in some sensors.

What precautions should be taken when handling Tetrahydro-2(1H)-pyrimidinone (CAS: 1852-17-1)?

When handling Tetrahydro-2(1H)-pyrimidinone (CAS: 1852-17-1), it is important to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. Ensure proper ventilation and use a fume hood to prevent inhalation. Spills should be handled with absorbent materials, and the material safety data sheet (MSDS) should be consulted for detailed information on safe handling and disposal.