36953-37-4 | 4-Bromopyridin-2(1h)-one

Packsize	Purity	Availability	Price	Discounted Price
250mg	98%	in stock	$8.00	$5.00
1g	98%	in stock	$10.00	$7.00
5g	98%	in stock	$15.00	$10.00
10g	98%	in stock	$28.00	$19.00
25g	98%	in stock	$59.00	$41.00

Description

• Catalog Number: AB44862
• Chemical Name: 4-Bromopyridin-2(1h)-one
• CAS Number: 36953-37-4
• Molecular Formula: C5H4BrNO
• Molecular Weight: 173.9954
• MDL Number: MFCD11226860
• SMILES: Brc1ccnc(c1)O

Computed Properties

• Complexity: 171
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 8
• Hydrogen Bond Acceptor Count: 1
• Hydrogen Bond Donor Count: 1
• XLogP3: 0.6

Upstream Synthesis Route

The upstream synthesis route of 4-Bromopyridin-2(1H)-one typically involves the following steps:

1. Start with nicotinic acid as the precursor. Nicotinic acid is commercially available and provides a suitable starting point for the synthesis of pyridine derivatives.

2. Convert nicotinic acid to its corresponding acid chloride by reaction with thionyl chloride (SOCl2). This reaction is conducted under reflux conditions.

3. The resulting acid chloride is then treated with HBr in the presence of a radical initiator such as azobisisobutyronitrile (AIBN) or peroxides to introduce the bromine at the 4-position of the pyridine ring via radical halogenation.

4. Finally, cyclization is achieved through reaction with an amine source, which could be ammonia or an ammonium salt, to give 4-Bromopyridin-2(1H)-one. This step is typically performed under dehydration conditions, which could be achieved by using a coupling reagent like dicyclohexylcarbodiimide (DCC), or through heating to remove water.