1049873-28-0 | dimethyl({[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl})amine

Packsize	Purity	Availability	Price	Discounted Price
50mg	95%	1 week	$142.00	$100.00
100mg	95%	1 week	$184.00	$129.00
250mg	95%	1 week	$243.00	$170.00
500mg	95%	1 week	$413.00	$289.00
1g	95%	1 week	$565.00	$395.00
2.5g	95%	1 week	$1,057.00	$740.00
5g	95%	1 week	$1,541.00	$1,079.00
10g	95%	1 week	$2,263.00	$1,584.00

Description

• Catalog Number: AV28210
• Chemical Name: dimethyl({[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl})amine
• CAS Number: 1049873-28-0
• Molecular Formula: C11H12N4O3
• Molecular Weight: 248.2380
• MDL Number: MFCD10686715
• SMILES: CN(Cc1onc(n1)c1ccc(cc1)[N+](=O)[O-])C

Upstream Synthesis Route

The upstream synthesis of dimethyl({[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl})amine involves several steps. Here's a general outline of a possible synthetic route:

1. **Preparation of 3-(4-Nitrophenyl)-1,2,4-oxadiazole-5-carboxylic Acid**: The synthesis typically begins with the preparation of 3-(4-nitrophenyl)-1,2,4-oxadiazole-5-carboxylic acid, which serves as the core structure for the target compound. This can be achieved by the reaction of 4-nitrobenzoyl chloride with hydroxylamine hydrochloride in the presence of a base.

2. **Esterification**: The carboxylic acid group of 3-(4-nitrophenyl)-1,2,4-oxadiazole-5-carboxylic acid is esterified to form the methyl ester. This esterification reaction can be accomplished by reacting 3-(4-nitrophenyl)-1,2,4-oxadiazole-5-carboxylic acid with methanol in the presence of a catalyst or acid.

3. **Preparation of 3-(4-Nitrophenyl)-1,2,4-oxadiazole-5-methanol**: The methyl ester group is then hydrolyzed to form 3-(4-nitrophenyl)-1,2,4-oxadiazole-5-methanol.

4. **Preparation of dimethyl({[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl})amine**: Finally, the amine group of dimethylamine is reacted with 3-(4-nitrophenyl)-1,2,4-oxadiazole-5-methanol to introduce the dimethylaminoethyl group at the 5-position of the oxadiazole ring. This reaction can be achieved by treating dimethylamine with 3-(4-nitrophenyl)-1,2,4-oxadiazole-5-methanol in the presence of a suitable catalyst or base.

5. **Purification and Isolation**: The crude product obtained from the reaction is purified and isolated using techniques such as column chromatography, recrystallization, or distillation to obtain pure dimethyl({[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl})amine.

It's important to note that the synthesis of this compound may require optimization of reaction conditions, choice of reagents, and purification methods to achieve high yields and purity. Additionally, safety precautions should be followed when handling reactive chemicals and conducting chemical reactions.