875781-17-2 | 5-Bromo-3h-pyrazolo[3,4-b]pyridine

Packsize	Purity	Availability	Price	Discounted Price
250mg	98%	in stock	$8.00	$5.00
1g	98%	in stock	$9.00	$6.00
5g	98%	in stock	$15.00	$10.00
10g	98%	in stock	$22.00	$15.00
25g	98%	in stock	$52.00	$36.00
50g	98%	in stock	$100.00	$70.00
100g	98%	in stock	$195.00	$136.00
250g	98%	in stock	$405.00	$283.00

Description

• Catalog Number: AB68844
• Chemical Name: 5-Bromo-3h-pyrazolo[3,4-b]pyridine
• CAS Number: 875781-17-2
• Molecular Formula: C6H4BrN3
• Molecular Weight: 198.0201
• MDL Number: MFCD05663982
• SMILES: Brc1cnc2c(c1)cn[nH]2

Computed Properties

• Complexity: 130
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 10
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 1
• XLogP3: 1.5

Upstream Synthesis Route

The upstream synthetic route for 5-Bromo-3H-pyrazolo[3,4-b]pyridine typically involves the following steps:

1. **Synthesis of Pyrazolone Precursor:**
Start with the condensation of ethyl acetoacetate with hydrazine hydrate to form the pyrazolone precursor.

2. **Cyclization to Form Pyrazolo[3,4-b]pyridine:**
The pyrazolone is then cyclized using an amidine like aminopyridine in the presence of a catalyst (e.g., POCl₃) to form the pyrazolo[3,4-b]pyridine core.

3. **Halogenation:**
Finally, the bromination of pyrazolo[3,4-b]pyridine is achieved using a brominating agent such as N-bromosuccinimide (NBS) or bromine in an appropriate solvent like carbon tetrachloride (CCl₄) to introduce the bromo substituent at the 5-position, yielding 5-Bromo-3H-pyrazolo[3,4-b]pyridine.

Each step may require purification methods like recrystallization or column chromatography to ensure the product's purity before moving to the next stage. The conditions such as temperature and time need to be optimized to maximize yield and purity.