112898-33-6 | Trans-2,5-difluorocinnamic acid

Packsize	Purity	Availability	Price	Discounted Price
1g	97%	in stock	$15.00	$10.00
5g	97%	in stock	$28.00	$19.00
10g	97%	in stock	$49.00	$34.00

Description

• Catalog Number: AB79792
• Chemical Name: Trans-2,5-difluorocinnamic acid
• CAS Number: 112898-33-6
• Molecular Formula: C9H6F2O2
• Molecular Weight: 184.1395
• MDL Number: MFCD00010318
• SMILES: OC(=O)/C=C/c1cc(F)ccc1F

Computed Properties

• Complexity: 216
• Covalently-Bonded Unit Count: 1
• Defined Bond Stereocenter Count: 1
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 2
• XLogP3: 2.1

Upstream Synthesis Route

(E)-3-(2,5-Difluorophenyl)acrylic acid, also known as $name$, is a highly versatile compound that finds wide application in chemical synthesis. This compound serves as a crucial building block in the creation of various pharmaceuticals, agrochemicals, and materials due to its unique chemical properties and reactivity.One key application of (E)-3-(2,5-Difluorophenyl)acrylic acid in chemical synthesis is its role as a precursor in the synthesis of fluorinated organic molecules. The presence of the difluorophenyl group provides this compound with enhanced stability and reactivity, making it a valuable starting material for the introduction of fluorine atoms into organic structures. This property is particularly advantageous in medicinal chemistry, where fluorinated compounds are often sought after for their improved pharmacokinetic properties.Additionally, (E)-3-(2,5-Difluorophenyl)acrylic acid can be utilized in the synthesis of complex heterocyclic compounds and natural products. By incorporating this compound into synthetic routes, chemists can access a diverse array of molecular architectures with potential applications in drug discovery, materials science, and agrochemistry.Overall, the use of (E)-3-(2,5-Difluorophenyl)acrylic acid in chemical synthesis enables the efficient preparation of diverse organic compounds with valuable properties, highlighting its significance in modern synthetic chemistry practices.