30766-03-1 | 4-Bromopicolinic acid

Packsize	Purity	Availability	Price	Discounted Price
1g	95%	in stock	$8.00	$5.00
5g	95%	in stock	$15.00	$10.00
10g	95%	in stock	$25.00	$18.00
25g	95%	in stock	$61.00	$43.00
50g	95%	in stock	$118.00	$83.00

Description

• Catalog Number: AB41336
• Chemical Name: 4-Bromopicolinic acid
• CAS Number: 30766-03-1
• Molecular Formula: C6H4BrNO2
• Molecular Weight: 202.0055
• MDL Number: MFCD03426665
• SMILES: OC(=O)c1cc(Br)ccn1

Computed Properties

• Complexity: 140
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 10
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 1.4

Upstream Synthesis Route

The upstream synthesis route of 4-Bromopicolinic acid typically involves the following steps:

1. **Synthesis of Picolinic Acid**: Begin by synthesizing picolinic acid, which is the core structure for functionalization. This can often be done by oxidizing 2-methylpyridine (also known as α-picoline) using an oxidizing agent like potassium permanganate (KMnO4) in an acidic medium.

2. **Bromination**: Introduce the bromine atom at the 4-position of the pyridine ring. This step can be performed using bromine (Br2) in the presence of a catalyst such as iron(III) bromide (FeBr3) under controlled conditions. This halogenation step specifically targets the 4-position due to the directing effect of the carboxylic group at the 2-position.

3. **Purification (if necessary)**: The product, 4-Bromopicolinic acid, may require purification to achieve the desired level of purity for subsequent use. This could be accomplished by recrystallization from an appropriate solvent or by chromatography, depending on the scale and requirements of the synthesis.

In industrial settings, this route is optimized for yield, cost-effectiveness, and scalability while minimizing side reactions and environmental impact.

Literature

• Microsphere-based protease assays and screening application for lethal factor and factor Xa.

  Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501