117292-80-5 | (E)-Phenethyl 3-(3-hydroxy-4-methoxyphenyl)acrylate

Packsize	Purity	Availability	Price	Discounted Price
10mg	98%	in stock	$58.00	$40.00
25mg	98%	in stock	$107.00	$75.00
50mg	98%	in stock	$164.00	$115.00
250mg	98%	in stock	$541.00	$379.00

Description

• Catalog Number: AA18027
• Chemical Name: (E)-Phenethyl 3-(3-hydroxy-4-methoxyphenyl)acrylate
• CAS Number: 117292-80-5
• Molecular Formula: C18H18O4
• Molecular Weight: 298.33312000000006
• MDL Number: MFCD28347679
• SMILES: COc1ccc(cc1O)/C=C/C(=O)OCCc1ccccc1
• NSC Number: 666256

Computed Properties

• Complexity: 360
• Covalently-Bonded Unit Count: 1
• Defined Bond Stereocenter Count: 1
• Heavy Atom Count: 22
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 7
• XLogP3: 3.8

Upstream Synthesis Route

(E)-Phenethyl 3-(3-hydroxy-4-methoxyphenyl)acrylate is a versatile compound widely utilized in chemical synthesis. It serves as a key building block in the creation of various pharmaceuticals, agrochemicals, and fine chemicals. Due to its unique structure, this compound is particularly valued for its ability to participate in important chemical reactions, such as Michael additions and Heck couplings, which are pivotal in the formation of complex organic molecules. Additionally, (E)-Phenethyl 3-(3-hydroxy-4-methoxyphenyl)acrylate demonstrates notable stability under a range of reaction conditions, enabling its efficient incorporation into diverse synthetic pathways. Its utility in synthesis extends to the development of bioactive molecules, natural product derivatives, and other intricate organic compounds necessary for modern scientific research and industrial applications.

Literature

• Inhibitory effects of caffeic acid phenethyl ester derivatives on replication of hepatitis C virus.

  PloS one 20130101

• CoMFA and CoMSIA 3D QSAR and docking studies on conformationally-restrained cinnamoyl HIV-1 integrase inhibitors: exploration of a binding mode at the active site.

  Journal of medicinal chemistry 20020214

• Hydroxylated aromatic inhibitors of HIV-1 integrase.

  Journal of medicinal chemistry 19951013