1079393-88-6 | N'-hydroxy-4-methoxybenzene-1-carboximidamide

Packsize	Purity	Availability	Price	Discounted Price
100mg	95%	1 week	$127.00	$89.00
250mg	95%	1 week	$132.00	$92.00
500mg	95%	1 week	$163.00	$114.00
1g	95%	1 week	$185.00	$129.00

Description

• Catalog Number: AV38869
• Chemical Name: N'-hydroxy-4-methoxybenzene-1-carboximidamide
• CAS Number: 1079393-88-6
• Molecular Formula: C8H10N2O2
• Molecular Weight: 166.1772
• MDL Number: MFCD00816993
• SMILES: COc1ccc(cc1)C(=NO)N

Upstream Synthesis Route

The upstream synthesis of N'-hydroxy-4-methoxybenzene-1-carboximidamide, also known as N-hydroxy-4-methoxybenzene-1-carboximidamide or N-hydroxy-4-methoxybenzamidine, involves several steps. Here's a general outline of a possible synthetic route:

1. **Protection of the Amine Group**: The synthesis typically begins with the protection of the amino group (NH2) of 4-methoxybenzene-1-carboximidamide. This can be achieved by reacting the amine group with a protecting group reagent such as a tert-butyloxycarbonyl (Boc) group, a benzyl group, or a tert-butyloxysulfonyl (Tos) group. This step prevents unwanted reactions of the amino group during subsequent transformations.

2. **Nitration of 4-Methoxybenzamide**: The protected 4-methoxybenzamide is then subjected to nitration, typically using a mixture of concentrated nitric acid (HNO3) and sulfuric acid (H2SO4). This results in the introduction of a nitro group (-NO2) at the desired position on the aromatic ring.

3. **Reduction of Nitro Group**: The nitro group is then reduced to an amino group (-NH2). Common reducing agents for this transformation include iron powder in acidic conditions (such as hydrochloric acid) or hydrogen gas (H2) in the presence of a catalyst (e.g., palladium on carbon).

4. **Deprotection of Amine Group**: The protecting group on the amino group is removed, typically under acidic or basic conditions, to regenerate the free amine group.

5. **Hydroxylation**: The amino group is hydroxylated to form the N-hydroxy group (-NOH). This can be achieved using reagents such as hydroxylamine (\(NH_2OH\)) or its derivatives under appropriate reaction conditions.

6. **Purification and Isolation**: The crude product obtained from the hydroxylation reaction is purified and isolated using techniques such as column chromatography, recrystallization, or distillation to obtain pure N'-hydroxy-4-methoxybenzene-1-carboximidamide.

It's important to note that the synthesis of N'-hydroxy-4-methoxybenzene-1-carboximidamide 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.