104201-66-3 | 3-(Trifluoromethyl)cinnamic acid methyl ester

Packsize	Purity	Availability	Price	Discounted Price
250mg	98%	in stock	$58.00	$40.00
1g	98%	in stock	$90.00	$63.00
5g	98%	in stock	$251.00	$176.00
25g	98%	in stock	$946.00	$662.00

Description

• Catalog Number: AI06309
• Chemical Name: 3-(Trifluoromethyl)cinnamic acid methyl ester
• CAS Number: 104201-66-3
• Molecular Formula: C11H9F3O2
• Molecular Weight: 230.1832
• MDL Number: MFCD08704704
• SMILES: COC(=O)/C=C/c1cccc(c1)C(F)(F)F

Computed Properties

• Complexity: 271
• Covalently-Bonded Unit Count: 1
• Defined Bond Stereocenter Count: 1
• Heavy Atom Count: 16
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• XLogP3: 3.5

Upstream Synthesis Route

Methyl (2E)-3-[3-(trifluoromethyl)phenyl]-2-propenoate is a valuable chemical compound commonly used in chemical synthesis for a variety of applications. This compound serves as a vital building block in the creation of pharmaceuticals, agrochemicals, and specialty chemicals. Its unique structure, characterized by a trifluoromethyl group and a conjugated ester functionality, allows for versatile reactivity and incorporation into complex molecular structures. In chemical synthesis, Methyl (2E)-3-[3-(trifluoromethyl)phenyl]-2-propenoate can be utilized as a key intermediate in the preparation of biologically active compounds, functional materials, and fine chemicals. Its strategic placement within synthetic pathways enables efficient access to diverse molecular frameworks, making it a valuable tool for organic chemists seeking to design and synthesize novel compounds with specific properties and functions.