67460-86-0 | 1H-Pyrazole, 3,5-dibromo-

Packsize	Purity	Availability	Price	Discounted Price
1g	95%	in stock	$6.00	$5.00
5g	95%	in stock	$17.00	$12.00
10g	95%	in stock	$25.00	$17.00
25g	95%	in stock	$43.00	$30.00
50g	95%	in stock	$84.00	$59.00
100g	95%	in stock	$154.00	$108.00
500g	95%	in stock	$667.00	$467.00

Description

• Catalog Number: AI66999
• Chemical Name: 1H-Pyrazole, 3,5-dibromo-
• CAS Number: 67460-86-0
• Molecular Formula: C3H2Br2N2
• Molecular Weight: 225.8694
• MDL Number: MFCD00159645
• SMILES: Brc1[nH]nc(c1)Br

Upstream Synthesis Route

The upstream synthesis of 3,5-dibromo-1H-pyrazole typically involves the following steps:

1. **Synthesis of Pyrazole**: The process begins with the construction of the pyrazole ring. This can be achieved by the reaction of hydrazine with an appropriate β-diketone or β-ketoester under acidic conditions to form the unsubstituted pyrazole.

2. **Bromination**: Subsequent bromination of the pyrazole ring at the 3 and 5 positions to introduce the bromine atoms is achieved using a brominating reagent such as N-bromosuccinimide (NBS) or elemental bromine (Br2) in the presence of a catalyst or under photochemical conditions to ensure regioselective halogenation.

3. **Purification and Isolation**: The crude 3,5-dibromo-1H-pyrazole is then typically purified by recrystallization or chromatography to obtain the pure compound.

Throughout each step of the synthesis, it's crucial to control the reaction conditions, such as temperature, time, and stoichiometry of reagents to maximize the yield and purity of the desired dibrominated product. The detailed conditions may vary and need to be optimized depending on the specific starting materials and reagents used.