115933-50-1 | Methyl 4-hydroxy-3-(trifluoromethyl)benzoate

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$14.00	$10.00
5g	98%	in stock	$59.00	$42.00
25g	98%	in stock	$267.00	$187.00

Description

• Catalog Number: AA22012
• Chemical Name: Methyl 4-hydroxy-3-(trifluoromethyl)benzoate
• CAS Number: 115933-50-1
• Molecular Formula: C9H7F3O3
• Molecular Weight: 220.1453
• MDL Number: MFCD06204091
• SMILES: COC(=O)c1ccc(c(c1)C(F)(F)F)O

Computed Properties

• Complexity: 239
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 15
• Hydrogen Bond Acceptor Count: 6
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 2
• XLogP3: 2.3

Upstream Synthesis Route

Methyl 4-hydroxy-3-(trifluoromethyl)benzoate is a versatile compound commonly used in chemical synthesis processes. This compound is valued for its ability to serve as a key building block in the creation of various organic molecules. In chemical synthesis, this compound can be utilized as a starting material or intermediate in the production of pharmaceuticals, agrochemicals, and specialty chemicals.With its unique structure incorporating a hydroxy group and a trifluoromethyl group, Methyl 4-hydroxy-3-(trifluoromethyl)benzoate offers distinct reactivity that can be harnessed to introduce specific functional groups into target molecules. Its presence in a synthesis route can enable the incorporation of important pharmacophores or structural motifs that are crucial for the desired biological activity or physical properties of the final compound.Additionally, the trifluoromethyl group in Methyl 4-hydroxy-3-(trifluoromethyl)benzoate can impart enhanced lipophilicity and metabolic stability to the synthesized molecules, making it a valuable tool in drug design and discovery efforts. This compound's role in chemical synthesis highlights its significance in the creation of novel compounds with potential applications in various industries.