121669-70-3 | t-Butyl 4-iodopyrazole-1-carboxylate

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$8.00	$6.00
5g	98%	in stock	$22.00	$16.00
10g	98%	in stock	$36.00	$26.00

Description

• Catalog Number: AA53634
• Chemical Name: t-Butyl 4-iodopyrazole-1-carboxylate
• CAS Number: 121669-70-3
• Molecular Formula: C8H11IN2O2
• Molecular Weight: 294.0896
• MDL Number: MFCD05663855
• SMILES: O=C(n1ncc(c1)I)OC(C)(C)C

Computed Properties

• Complexity: 203
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• XLogP3: 2.2

Upstream Synthesis Route

The tert-Butyl 4-iodo-1H-pyrazole-1-carboxylate is a versatile compound widely used in chemical synthesis due to its unique properties and reactivity. This compound serves as a valuable building block in the preparation of various organic molecules. Its presence of an iodine atom and a carboxylate group makes it an important intermediate in the synthesis of complex organic compounds.In chemical synthesis, tert-Butyl 4-iodo-1H-pyrazole-1-carboxylate can be employed as a key starting material for the development of pharmaceuticals, agrochemicals, and materials science. Its ability to undergo diverse chemical reactions, such as nucleophilic substitution and cross-coupling reactions, allows for the creation of structurally diverse molecules with varying properties.Furthermore, the presence of the tert-butyl group provides steric hindrance, which can influence the regioselectivity and stereochemistry of reactions involving this compound. This can be advantageous in organic synthesis strategies that require precise control over the spatial arrangement of atoms in the final product.Overall, tert-Butyl 4-iodo-1H-pyrazole-1-carboxylate plays a crucial role in modern chemical synthesis by enabling the efficient construction of complex organic molecules with tailored properties for a wide range of applications.