106129-86-6 | (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one

Packsize	Purity	Availability	Price	Discounted Price
500mg	95%	in stock	$148.00	$104.00
1g	95%	in stock	$183.00	$128.00
5g	95%	in stock	$552.00	$387.00
10g	95%	in stock	$921.00	$645.00

Description

• Catalog Number: AD67346
• Chemical Name: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
• CAS Number: 106129-86-6
• Molecular Formula: C11H13NO2
• Molecular Weight: 191.22642000000002
• MDL Number: MFCD00172108
• SMILES: CN(/C=C/C(=O)c1ccccc1O)C

Computed Properties

• Complexity: 223
• Covalently-Bonded Unit Count: 1
• Defined Bond Stereocenter Count: 1
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 3
• XLogP3: 2.3

Upstream Synthesis Route

2-Propen-1-one, 3-(dimethylamino)-1-(2-hydroxyphenyl)-, (E)- serves as a valuable reagent in chemical synthesis due to its unique structural features. This compound is particularly prized for its role in organic reactions, where its unsaturated carbonyl group imparts reactivity and selectivity. The presence of the dimethylamino and hydroxyphenyl moieties further enhances its versatility, allowing for diverse functional group transformations and complex molecule construction. In the realm of chemical synthesis, 2-Propen-1-one, 3-(dimethylamino)-1-(2-hydroxyphenyl)-, (E)- finds widespread utility as a key building block in the creation of pharmaceuticals, agrochemicals, and advanced materials. Its ability to participate in a range of reactions, such as Michael additions, nucleophilic substitutions, and heterocyclic formations, makes it an indispensable tool for synthetic chemists striving to access novel compounds and molecular architectures.

Literature

• Identification of a Chemical Probe for Family VIII Bromodomains through Optimization of a Fragment Hit.

  Journal of medicinal chemistry 20160526