1000341-32-1 | 3-Chloro-5-tert-butylbenzoic acid

Packsize	Purity	Availability	Price	Discounted Price
1g	96%	in stock	$558.00	$391.00
5g	96%	in stock	$1,879.00	$1,316.00

Description

• Catalog Number: AA00407
• Chemical Name: 3-Chloro-5-tert-butylbenzoic acid
• CAS Number: 1000341-32-1
• Molecular Formula: C11H13ClO2
• Molecular Weight: 212.6727
• MDL Number: MFCD09880197
• SMILES: Clc1cc(cc(c1)C(C)(C)C)C(=O)O

Computed Properties

• Complexity: 220
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 2
• XLogP3: 3.7

Upstream Synthesis Route

3-(tert-Butyl)-5-chlorobenzoic acid is a versatile compound frequently utilized in chemical synthesis. Due to its unique structure and reactivity, this compound is commonly employed as a key building block in the creation of various organic molecules. Its presence of a bulky tert-butyl group and a chlorine atom in the aromatic ring imparts specific properties that can significantly influence the outcome of synthetic reactions.In organic synthesis, 3-(tert-Butyl)-5-chlorobenzoic acid serves as a valuable precursor for the preparation of diverse compounds such as pharmaceuticals, agrochemicals, and advanced materials. The tert-butyl group acts as a steric hindrance, affecting the overall reactivity of the molecule and enabling selective chemical transformations. Additionally, the chlorine atom provides a site for further functionalization reactions, allowing for the introduction of additional substituents to tailor the compound's properties.By strategically incorporating 3-(tert-Butyl)-5-chlorobenzoic acid into synthetic routes, chemists can access a wide range of structurally complex and potentially bioactive compounds. Its utility extends to the synthesis of biologically active molecules, natural product derivatives, and functionalized intermediates for more advanced chemical transformations. The diverse applications of this compound highlight its importance as a valuable building block in modern organic chemistry.