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2-[(6-Chloro-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)methyl]-4-fluorobenzonitrile(CAS: 865759-24-6)

2-[(6-Chloro-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)methyl]-4-fluorobenzonitrile
CAS Number

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Basic Information

Molecular Formula
C13H9ClFN3O2
Molecular Weight
17.03 g/mol

Chemical Identifiers

SMILES
N#CC1=CC=C(F)C=C1CN(C(N2C)=O)C(Cl)=CC2=O
InChIKey
DNCGCZRILRRTMK-UHFFFAOYSA-N

Database References

MDL Number
MFCD23695357

FAQ

2-[(6-Chloro-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)methyl]-4-fluorobenzonitrile is a crystalline solid with a molecular weight of approximately 328.02 g/mol. It is poorly soluble in water but soluble in organic solvents like DMSO and acetonitrile. The compound exhibits moderate reactivity towards nucleophiles and can undergo substitution reactions. It has a high melting point and is stable under normal storage conditions.
2-[(6-Chloro-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)methyl]-4-fluorobenzonitrile is typically synthesized via a multi-step process involving the reaction of 6-chloro-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidine with 4-fluorobenzonitrile. The synthesis involves the use of a base catalyst and is optimized for high yield and selectivity. This process often requires careful control of reaction conditions to achieve the desired product.
2-[(6-Chloro-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)methyl]-4-fluorobenzonitrile is primarily used in the pharmaceutical and polymer industries. It serves as a precursor in the development of pharmaceutical compounds and is also utilized in the synthesis of advanced polymers with specific performance properties.
When handling 2-[(6-Chloro-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)methyl]-4-fluorobenzonitrile, appropriate personal protective equipment (PPE) should be worn, including gloves, goggles, and a lab coat. The material should be handled in a fume hood to minimize inhalation risks. Spills should be carefully cleaned up using appropriate absorbents, and the area should be properly ventilated. Safety data sheets (SDS) should be consulted for detailed handling and disposal information.

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

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