103146-26-5 | 4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile hydrobromide

Packsize	Purity	Availability	Price	Discounted Price
5g	95%	in stock	$25.00	$17.00
25g	95%	in stock	$57.00	$40.00
100g	95%	in stock	$158.00	$111.00

Description

• Catalog Number: AB51440
• Chemical Name: 4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile hydrobromide
• CAS Number: 103146-26-5
• Molecular Formula: C20H24BrFN2O2
• Molecular Weight: 423.3192
• MDL Number: MFCD08436978
• SMILES: OCc1cc(C#N)ccc1C(c1ccc(cc1)F)(CCCN(C)C)O.Br

Computed Properties

• Complexity: 456
• Covalently-Bonded Unit Count: 2
• Heavy Atom Count: 26
• Hydrogen Bond Acceptor Count: 5
• Hydrogen Bond Donor Count: 3
• Rotatable Bond Count: 7
• Undefined Atom Stereocenter Count: 1

Upstream Synthesis Route

The compound 4-(4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile hydrobromide is an essential reagent in chemical synthesis due to its versatile applications. This compound serves as a key intermediate in the synthesis of various pharmaceuticals, agrochemicals, and specialty chemicals. With its unique molecular structure, this compound plays a crucial role in the development of novel drug candidates and fine chemicals. Its hydrobromide salt form enhances its solubility and reactivity, making it an ideal choice for organic synthesis reactions requiring a halogen counterion. In chemical synthesis, 4-(4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile hydrobromide acts as a valuable building block for introducing specific functional groups, such as amino groups, hydroxyl groups, and nitrile moieties. This compound's ability to undergo various chemical transformations, including nucleophilic additions, acylations, and redox reactions, makes it a versatile tool for designing complex molecular structures. Additionally, the presence of both hydroxyl and nitrile functional groups in the molecule allows for the synthesis of diverse chemical derivatives with tailored properties and activities. Its balanced hydrophilic-lipophilic nature further expands its applications in designing novel molecules with improved bioavailability and pharmacokinetic profiles.