446273-59-2 | 3-Amino-4-bromo-6-chloropyridazine

Packsize	Purity	Availability	Price	Discounted Price
250mg	97%	in stock	$6.00	$4.00
1g	97%	in stock	$8.00	$6.00
5g	97%	in stock	$10.00	$7.00
10g	97%	in stock	$15.00	$11.00
25g	97%	in stock	$36.00	$25.00
100g	97%	in stock	$135.00	$95.00
500g	98%	in stock	$642.00	$449.00
1000g	>97%	in stock	$1,072.00	$750.00

Description

• Catalog Number: AB44411
• Chemical Name: 3-Amino-4-bromo-6-chloropyridazine
• CAS Number: 446273-59-2
• Molecular Formula: C4H3BrClN3
• Molecular Weight: 208.4437
• MDL Number: MFCD11520891
• SMILES: Clc1nnc(c(c1)Br)N

Computed Properties

• Complexity: 102
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 9
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• XLogP3: 1.1

Upstream Synthesis Route

To synthesize 3-Amino-4-bromo-6-chloropyridazine, one can adopt the following synthetic route:

1. Starting Material: Begin with tetrahalopyridazine – specifically 2,3,5,6-tetrachloropyridazine – as the starting material due to its availability and reactive halogen substituents.

2. Selective Halogen Exchange: Perform a halogen exchange reaction by treating the tetrachloropyridazine with a bromine source, such as HBr, in the presence of a catalyst or under appropriate conditions to selectively substitute one of the chlorine atoms with a bromine atom yielding 3,5,6-trichloro-4-bromopyridazine.

3. Nucleophilic Substitution for Amination: The next step is to displace one of the remaining chloro groups at the 3-position with an amino group. This can be achieved by treating the trichloro compound with an ammonia source, such as NH3, through nucleophilic aromatic substitution. Proper conditions are required to promote selectivity at the 3-position over the other chlorinated sites.

4. Purification: Purify the desired 3-amino-4-bromo-6-chloropyridazine using appropriate purification techniques such as recrystallization or column chromatography to achieve high purity for further use or investigation.

This synthesis route assumes the availability of a suitable starting material and the feasibility of selective halogen exchange and substitution reactions. Optimization of reaction conditions like temperature, solvent, and reaction time would be necessary for the best yield and selectivity.