1151802-23-1 | 4-Bromo-1-cyclopropyl-1H-pyrazole

Packsize	Purity	Availability	Price	Discounted Price
100mg	97%	in stock	$6.00	$4.00
250mg	97%	in stock	$6.00	$5.00
1g	97%	in stock	$16.00	$12.00
5g	97%	in stock	$56.00	$40.00
10g	97%	in stock	$100.00	$70.00
25g	97%	in stock	$176.00	$124.00
100g	97%	in stock	$661.00	$463.00

Description

• Catalog Number: AA21036
• Chemical Name: 4-Bromo-1-cyclopropyl-1H-pyrazole
• CAS Number: 1151802-23-1
• Molecular Formula: C6H7BrN2
• Molecular Weight: 187.03718000000006
• MDL Number: MFCD18250639
• SMILES: Brc1cnn(c1)C1CC1

Computed Properties

• Complexity: 114
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 9
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 1.4

Upstream Synthesis Route

The synthesis of 4-Bromo-1-cyclopropyl-1H-pyrazole can be achieved starting from cyclopropylhydrazine as the primary precursor. The synthetic route involves the following steps:

1. **Cyclopropylation**: Cyclopropylhydrazine can be obtained via cyclopropanation of hydrazine using an appropriate cyclopropylating agent such as diethylcarbamyl chloride in the presence of a base.

2. **Halogenation**: The cyclopropylhydrazine is then subjected to bromination. This can be performed using N-bromosuccinimide (NBS) in the presence of a radical initiator such as AIBN (azobisisobutyronitrile) with appropriate solvent under reflux conditions, producing 4-bromo-cyclopropylhydrazine.

3. **Cyclization to Pyrazole**: The final step is the formation of the pyrazole ring. This is conventionally achieved by reacting 4-bromo-cyclopropylhydrazine with an appropriate diketone or β-diketo ester (such as acetylacetone or ethyl acetoacetate) under acidic conditions to cyclize the structure, forming the pyrazole ring and yielding the desired product, 4-Bromo-1-cyclopropyl-1H-pyrazole.

Each step requires careful control of reaction conditions, including temperature, stoichiometry, and time, to maximize yield and purity of the product. Purification is typically done via recrystallization or chromatography as needed.