S-[(2E)-2-{[(4-Amino-2-methyl-5-pyrimidinyl)methyl](formyl)amino}-5-(phosphonooxy)-2-penten-3-yl] (2E)-3-phenyl-2-propenethioate(CAS: 751-21-3)
amino}-5-(phosphonooxy)-2-penten-3-yl] (2E)-3-phenyl-2-propenethioate S-[(2E)-2-{[(4-Amino-2-methyl-5-pyrimidinyl)methyl](formyl)amino}-5-(phosphonooxy)-2-penten-3-yl] (2E)-3-phenyl-2-propenethioate](https://static.chemtradehub.com/structs/751/751-21-3-2e6a.webp)
CAS Number
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Other Suppliers for S-[(2E)-2-{[(4-Amino-2-methyl-5-pyrimidinyl)methyl](formyl)amino}-5-(phosphonooxy)-2-penten-3-yl] (2E)-3-phenyl-2-propenethioate
Basic Information
Molecular Formula
C21H25N4O6PS
Molecular Weight
493.5 g/mol
Physical Properties
Melting Point
204-207 °C(lit.)
Density
1.03 g/mL at 20 °C
Chemical Identifiers
SMILES
CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCOP(=O)(O)O)SC(=O)C=CC2=CC=CC=C2)C
InChIKey
LHNAQHBDWJZZKV-NSFODXNUSA-N
Database References
FAQ
This compound is a phosphorus-containing organic molecule with a complex structure. It appears as a white to off-white solid in crystalline form. The molecular weight is approximately 530.45 g/mol. It is slightly soluble in water but more soluble in common organic solvents. It is chemically reactive, showing stability under neutral to slightly basic conditions but is prone to hydrolysis in acidic environments. It is not flammable and has a low vapor pressure.
The synthesis of this compound involves multiple steps, typically including alkylation, phosphonation, and coupling reactions. Commonly, it is synthesized from 4-amino-2-methyl-5-pyrimidinylmethylamine, formaldehyde, and a phosphonic acid derivative. The reaction involves the formation of a phosphonate ester, followed by the coupling with a 3-phenyl-2-propenethioate derivative. The overall process requires careful control of pH and temperature to achieve high yield and selectivity.
This compound finds applications in the pharmaceutical industry, where it is used as an intermediate for synthesizing complex organic molecules and drugs. It also has potential uses in semiconductor manufacturing, where its properties can contribute to the development of advanced materials. In the sensor industry, it can be used as a functional component for creating sensors with specific chemical detection capabilities.
When handling this compound, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be carefully cleaned up using personal protective equipment and appropriate absorbent materials. It is recommended to refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions to ensure safety during laboratory procedures.
Safety Notice
Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.
Always follow proper handling procedures
Contact Information
Contact Person
Manager Shi
1373640151@qq.com










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