104224-68-2 | 2-Adamantyl-4-bromophenol

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	1 week	$122.00	$86.00
5g	98%	1 week	$223.00	$156.00
10g	98%	1 week	$358.00	$250.00
25g	98%	1 week	$610.00	$427.00
100g	98%	1 week	$1,484.00	$1,039.00

Description

• Catalog Number: AD50012
• Chemical Name: 2-Adamantyl-4-bromophenol
• CAS Number: 104224-68-2
• Molecular Formula: C16H19BrO
• Molecular Weight: 307.2255
• MDL Number: MFCD00169077
• SMILES: Oc1ccc(cc1C12CC3CC(C2)CC(C1)C3)Br

Computed Properties

• Complexity: 299
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 18
• Hydrogen Bond Acceptor Count: 1
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 5.7

Upstream Synthesis Route

2-(1-Adamantyl)-4-bromophenol, a key reagent in chemical synthesis, serves as a versatile building block in various organic reactions due to its unique structural properties. With its adamantyl group providing steric hindrance and the bromine atom offering valuable reactivity, this compound finds wide application in the preparation of pharmaceuticals, agrochemicals, and advanced materials. When utilized in organic transformations, 2-(1-Adamantyl)-4-bromophenol acts as a crucial intermediate, facilitating the creation of complex molecular structures. Its strategic incorporation in synthetic pathways enables the generation of novel compounds with diverse applications in the field of chemistry.

Literature

• Ion-exchange-resin-catalyzed adamantylation of phenol derivatives with adamantanols: Developing a clean process for synthesis of 2-(1-adamantyl)-4-bromophenol, a key intermediate of adapalene.

  Beilstein journal of organic chemistry 20120101