623-04-1 | 4-Aminobenzyl alcohol

Packsize	Purity	Availability	Price	Discounted Price
1g	97%	in stock	$9.00	$6.00
5g	97%	in stock	$10.00	$7.00
10g	≥98%	in stock	$19.00	$13.00
25g	≥98%	in stock	$28.00	$19.00
100g	≥98%	in stock	$98.00	$68.00

Description

• Catalog Number: AI53872
• Chemical Name: 4-Aminobenzyl alcohol
• CAS Number: 623-04-1
• Molecular Formula: C7H9NO
• Molecular Weight: 123.1525
• MDL Number: MFCD00014782
• SMILES: OCc1ccc(cc1)N

Computed Properties

• Complexity: 77
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 9
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 1
• XLogP3: -0.2

Upstream Synthesis Route

To synthesize 4-Aminobenzyl alcohol, one can take the following upstream synthesis route:

1. Begin with 4-Nitrotoluene as the starting material.
2. Subject 4-Nitrotoluene to catalytic hydrogenation using a catalyst such as palladium on carbon (Pd/C) under an atmosphere of hydrogen to reduce the nitro group to the corresponding amine, yielding 4-Aminotoluene (4-Methylbenzenamine).
3. Perform a hydroxylation reaction on the methyl group of 4-Aminotoluene via oxidation. This can be achieved using an oxidizing agent such as dilute nitric acid or a mixture of potassium permanganate and sodium carbonate, which converts the methyl group to the primary alcohol group, resulting in the desired product, 4-Aminobenzyl alcohol.

Literature

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  Acta crystallographica. Section E, Structure reports online 20120501

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  Theranostics 20120101

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  Organic & biomolecular chemistry 20100421

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  Journal of nanobiotechnology 20070101

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  Journal of drug targeting 20060701

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  Molecular cancer therapeutics 20020901

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  Biomaterials 20020501