1199-20-8 | 3-phenylbut-2-enoic acid (E/Z mixture)

Packsize	Purity	Availability	Price	Discounted Price
100mg	98%	1 week	$22.00	$16.00
250mg	98%	1 week	$35.00	$24.00
1g	98%	1 week	$83.00	$58.00
5g	98%	1 week	$269.00	$188.00
25g	98%	1 week	$941.00	$659.00

Description

• Catalog Number: AA33282
• Chemical Name: 3-phenylbut-2-enoic acid (E/Z mixture)
• CAS Number: 1199-20-8
• Molecular Formula: C10H10O2
• Molecular Weight: 162.1852
• MDL Number: MFCD00053500
• SMILES: C/C(=C\C(=O)O)/c1ccccc1

Computed Properties

• Complexity: 188
• Covalently-Bonded Unit Count: 1
• Defined Bond Stereocenter Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 2
• XLogP3: 2.5

Upstream Synthesis Route

3-Phenylbut-2-enoic acid, also known as cinnamic acid, is a versatile chemical compound commonly used in chemical synthesis processes. In the realm of organic chemistry, this compound serves as a key intermediate for the synthesis of various important compounds. It is particularly valued for its role in the production of fragrances, pharmaceuticals, agrochemicals, and other fine chemicals.One significant application of 3-Phenylbut-2-enoic acid in chemical synthesis is its involvement in the preparation of styrene, a widely utilized monomer in the production of polystyrene plastics. By catalytically hydrogenating cinnamic acid, it can be converted into phenylpropionic acid, which can then be dehydrated to produce styrene. This process showcases the versatility of 3-Phenylbut-2-enoic acid as a precursor in the manufacturing of essential industrial materials.Furthermore, 3-Phenylbut-2-enoic acid can be utilized in the synthesis of various pharmaceutical compounds due to its structural features and reactivity. Its aromatic ring and carboxylic acid group provide opportunities for functionalization and derivatization, allowing for the creation of diverse drug molecules with therapeutic potential. The compound's presence in medicinal chemistry highlights its importance as a building block for the development of pharmaceutical products.In summary, 3-Phenylbut-2-enoic acid plays a crucial role in chemical synthesis by serving as an essential intermediate for the creation of valuable compounds in industries such as plastics, pharmaceuticals, and agrochemicals. Its versatility and reactivity make it a key component in the toolbox of organic chemists seeking to design and produce innovative materials and substances.

Literature

• Structure-activity relationships of trans-substituted-propenoic acid derivatives on the nicotinic acid receptor HCA2 (GPR109A).

  Bioorganic & medicinal chemistry letters 20110501