Benzyl 4-iodo-1H-pyrazole-1-carboxylate(CAS: 952338-83-9)

CAS Number
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Basic Information
Molecular Formula
C11H9IN2O2
Molecular Weight
328.11 g/mol
Chemical Identifiers
SMILES
C1=CC=C(C=C1)COC(=O)N2C=C(C=N2)I
InChIKey
RMOBSWZFJWFDMF-UHFFFAOYSA-N
Database References
MDL Number
MFCD28053702
FAQ
Benzyl 4-iodo-1H-pyrazole-1-carboxylate (CAS: 952338-83-9) is a crystalline solid with a molecular weight of approximately 315.03 g/mol. It is poorly soluble in water but soluble in organic solvents. The compound is reactive towards nucleophiles due to the presence of the iodine and carboxylate groups. It has a pKa around 4.5, indicating basicity.
Benzyl 4-iodo-1H-pyrazole-1-carboxylate is typically synthesized by reacting 4-iodopyrazole-1-carboxylic acid with benzyl alcohol in the presence of a coupling agent such as dicyclohexylcarbodiimide (DCC) and 4-(dimethylamino)pyridine (DMAP). The reaction is carried out in an organic solvent like dichloromethane. Yields are often around 70-80%.
Benzyl 4-iodo-1H-pyrazole-1-carboxylate (CAS: 952338-83-9) is used in the pharmaceutical industry for the synthesis of various drug candidates. It also finds applications in the polymer industry for the synthesis of functionalized polymers and in the sensor industry for the development of chemical sensors.
When handling Benzyl 4-iodo-1H-pyrazole-1-carboxylate (CAS: 952338-83-9), wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Store it in a fume hood to avoid inhalation of vapors. Dispose of any spills according to local regulations and ensure proper labeling. Always refer to the Material Safety Data Sheet (MSDS) for detailed 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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