1834-27-1 | 6-Chloro-4-methylpyridazin-3-ol

Packsize	Purity	Availability	Price	Discounted Price
250mg	97%	in stock	$9.00	$6.00
1g	97%	in stock	$11.00	$8.00
5g	97%	in stock	$40.00	$28.00
10g	97%	in stock	$76.00	$53.00
25g	97%	in stock	$179.00	$125.00
100g	97%	in stock	$549.00	$384.00

Description

• Catalog Number: AB02895
• Chemical Name: 6-Chloro-4-methylpyridazin-3-ol
• CAS Number: 1834-27-1
• Molecular Formula: C5H5ClN2O
• Molecular Weight: 144.559
• MDL Number: MFCD13659416
• SMILES: Cc1cc(Cl)n[nH]c1=O
• NSC Number: 113474

Computed Properties

• Complexity: 207
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 9
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 1
• XLogP3: 0.7

Upstream Synthesis Route

The upstream synthesis route of 6-Chloro-4-methylpyridazin-3-ol involves the following steps:

1. **Synthesis of Pyridazine Ring**: Begin with an appropriate dicarbonyl compound which can be a reactant in a condensation reaction with hydrazine (H2NNH2). The dihydropyridazine is formed via a cyclization reaction.

2. **Methylation**: Introduce a methyl group at the 4-position of the pyridazine ring. This step typically involves the use of methylating agents like methyl iodide (CH3I) or dimethyl sulfate (CH3SO2OCH3) in the presence of a base.

3. **Chlorination**: Add chlorine to the 6-position on the pyridazine ring. One of the common methods includes the use of phosphorus pentachloride (PCl5) or thionyl chloride (SOCl2) as the chlorinating agent.

4. **Hydroxylation**: Introduce a hydroxy group at the 3-position. This can be achieved by hydrolysis of an appropriate precursor of the pyridazine ring which would generate the 3-ol group.

5. **Purification and Isolation**: Finally, after the functional groups have been introduced, purify the compound to obtain 6-Chloro-4-methylpyridazin-3-ol.

Each step should be monitored for yield and purity using appropriate analytical techniques, and reaction conditions optimized accordingly.