Ethyl 4-amino-2-thioxo-1,2-dihydro-5-pyrimidinecarboxylate(CAS: 774-07-2)

CAS Number
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Basic Information
Molecular Formula
C7H9N3O2S
Molecular Weight
199.24 g/mol
Physical Properties
Melting Point
273 ºC
Boiling Point
329.7 ℃ at 760 mmHg
Density
1.48±0.1 g/cm3 (20 ºC 760 Torr),
Flash Point
153.2°C
Chemical Identifiers
SMILES
CCOC(=O)C1=C(NC(=S)N=C1)N
InChIKey
DKTWKRWWQKVQQB-UHFFFAOYSA-N
Database References
MDL Number
MFCD00023227
Beilstein Registry Number
176363
FAQ
Ethyl 4-amino-2-thioxo-1,2-dihydro-5-pyrimidinecarboxylate (CAS: 774-07-2) is a crystalline solid with a molecular weight of approximately 218.21 g/mol. It is sparingly soluble in water and more soluble in organic solvents like methanol and ethanol. The compound is known for its reactivity, particularly towards nucleophilic substitution reactions. It also exhibits some basic properties due to the amino group.
Ethyl 4-amino-2-thioxo-1,2-dihydro-5-pyrimidinecarboxylate (CAS: 774-07-2) is typically synthesized via a multi-step process involving the formation of a pyrimidine ring followed by amino and thio substitution. Key steps include the condensation of an amino acid derivative with a pyrimidine, followed by a thio substitution reaction. Catalysts like titanium tetrachloride are often used to improve the yield and selectivity of the reaction.
Ethyl 4-amino-2-thioxo-1,2-dihydro-5-pyrimidinecarboxylate (CAS: 774-07-2) is used in a variety of industries, particularly in pharmaceuticals where it serves as a precursor for drug synthesis. It also finds applications in the development of sensors and semiconductors due to its unique chemical properties.
When handling Ethyl 4-amino-2-thioxo-1,2-dihydro-5-pyrimidinecarboxylate (CAS: 774-07-2), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight and incompatible materials. Fume hoods should be used during handling to minimize inhalation risks. Always refer to the safety data sheet (SDS) for detailed handling and safety information.
Safety Notice
Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.
Always follow proper handling procedures
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