Description

Benzoic Acid, 4-(3-Hydroxy-1-Methylpropyl)-, 1,1-Dimethylethyl Ester (9Ci) is a specialized organic compound with a CAS number of 149325-57-5, valued for its unique molecular structure that combines a benzoic acid core with a tert-butyl ester and a hydroxyl-bearing side chain. This compound is primarily significant as a versatile chemical intermediate and building block in advanced organic synthesis. It is essential for R&D chemists and manufacturers in the pharmaceutical and fine chemical industries who require high-purity, structurally complex intermediates for developing new active ingredients and functional materials.

Application

This benzoic acid derivative serves as a critical intermediate in several high-value chemical synthesis pathways. Its applications include:

• Pharmaceutical Intermediate: Used in the research and synthesis of novel drug candidates, particularly those requiring specific steric and functional group properties.
• Fine Chemical Synthesis: Acts as a key building block for creating complex organic molecules used in agrochemicals, dyes, and specialty polymers.
• Ligand and Catalyst Development: Employed in the preparation of specialized ligands for asymmetric catalysis and metal-organic frameworks (MOFs).
• Flavor & Fragrance Precursor: Serves as a starting material for synthesizing certain aromatic compounds used in high-end fragrance and flavor formulations.
• Academic & Industrial R&D: A valuable reagent for methodological studies in organic chemistry, including esterification and protection/deprotection strategies.
• Material Science Research: Used in the development of organic semiconductors and photoactive materials due to its conjugated system.

Basic Information

Product Name	Benzoic Acid, 4-(3-Hydroxy-1-Methylpropyl)-, 1,1-Dimethylethyl Ester (9Ci)
CAS No.	149325-57-5
Molecular Formula	C15H22O3
Molecular Weight	250.33 g/mol
Synonyms	4-(3-Hydroxy-1-methylpropyl)benzoic acid tert-butyl ester; tert-Butyl 4-(3-hydroxy-1-methylpropyl)benzoate; 1,1-Dimethylethyl 4-(3-hydroxy-1-methylpropyl)benzoate; Benzoic acid, 4-(3-hydroxy-1-methylpropyl)-, 1,1-dimethylethyl ester; 149325-57-5; 4-(3-Hydroxy-1-methylpropyl)-benzoic acid tert-butyl ester; tert-Butyl 4-(3-hydroxybutyl)benzoate (related isomer); TB-HMPB Ester
EINECS	Contact for details

Quality Control

We maintain a rigorous quality management system to ensure batch-to-batch consistency and high purity. Our products undergo comprehensive analytical testing, including HPLC for purity assessment and NMR/IR for structural confirmation. Certificates of Analysis (COA) detailing identity, purity, and impurity profiles are provided with each shipment and are available upon request. Our manufacturing processes adhere to cGMP guidelines where applicable, ensuring suitability for demanding R&D and scale-up applications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (15-25°C). This compound may be hygroscopic (moisture-sensitive); keep the container tightly sealed under an inert atmosphere if specified. Keep away from strong oxidizing agents, strong acids, and strong bases.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals (as Pb)	≤ 10 ppm

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.