100632-58-4 | N-Ethyl-N-heptyl-4-(4-(methylsulfonamido)phenyl)-4-oxobutanamide

Packsize	Purity	Availability	Price	Discounted Price
100mg	95%	in stock	$116.00	$81.00
250mg	95%	in stock	$196.00	$137.00

Description

• Catalog Number: AA03062
• Chemical Name: N-Ethyl-N-heptyl-4-(4-(methylsulfonamido)phenyl)-4-oxobutanamide
• CAS Number: 100632-58-4
• Molecular Formula: C20H32N2O4S
• Molecular Weight: 396.5441
• MDL Number: MFCD09839032
• SMILES: CCCCCCCN(C(=O)CCC(=O)c1ccc(cc1)NS(=O)(=O)C)CC

Upstream Synthesis Route

The synthesis of N-Ethyl-N-heptyl-4-(4-(methylsulfonamido)phenyl)-4-oxobutanamide can involve multiple steps. Here's a potential synthetic route:

1. **Preparation of 4-Acetylphenyl Methyl Sulfone**: Start by synthesizing 4-acetylphenyl methyl sulfone. This can be achieved by reacting 4-acetylphenol with methylsulfonyl chloride (methanesulfonyl chloride) in the presence of a suitable base or acid scavenger, such as triethylamine or pyridine, in an appropriate solvent.

2. **Formation of 4-Acetylphenyl Methyl Sulfonamide**: React the 4-acetylphenyl methyl sulfone obtained in the previous step with ammonia or an amine, such as methylamine or ammonia, to form 4-acetylphenyl methyl sulfonamide.

3. **Alkylation of 4-Acetylphenyl Methyl Sulfonamide**: Alkylate the amino group of 4-acetylphenyl methyl sulfonamide with ethyl bromide and heptyl bromide sequentially. These reactions will lead to the formation of N-ethyl-N-heptyl-4-acetylphenyl methyl sulfonamide.

4. **Hydrolysis of 4-Acetylphenyl Methyl Sulfonamide**: Hydrolyze the acetyl group of N-ethyl-N-heptyl-4-acetylphenyl methyl sulfonamide under basic conditions. This will result in the formation of N-ethyl-N-heptyl-4-(4-(methylsulfonamido)phenyl)-4-oxobutanamide.

5. **Purification and Isolation**: Purify the crude product obtained from the reaction using techniques such as column chromatography or recrystallization to obtain pure N-Ethyl-N-heptyl-4-(4-(methylsulfonamido)phenyl)-4-oxobutanamide.

As with any organic synthesis, the actual steps and conditions may vary depending on the specific starting materials and desired product. Optimization of reaction conditions and purification methods may be necessary to achieve high yields and purity. Additionally, safety precautions should be followed when handling reactive chemicals and conducting chemical reactions.