Description

Benzoic Acid, 4-(1-Methyl-3-Oxopropyl)-, 1,1-Dimethylethyl Ester (9Ci) is a specialized benzoic acid derivative, recognized by the CAS number 389625-40-5, that serves as a valuable synthetic intermediate and building block in advanced organic chemistry. Its molecular structure, featuring both a tert-butyl ester and a ketone-containing side chain, makes it a versatile precursor for constructing complex molecules with high precision. This compound is primarily sought by research institutions and industrial R&D departments in the pharmaceutical and agrochemical sectors for the development of new active ingredients and fine chemicals.

Application

• Pharmaceutical Intermediate: Key building block in the synthesis of novel active pharmaceutical ingredients (APIs), particularly for compounds requiring a protected benzoic acid moiety.
• Agrochemical Research: Used in the development and scale-up of new herbicides, fungicides, and plant growth regulators.
• Organic Synthesis: A versatile precursor for creating complex molecular architectures in academic and industrial research laboratories.
• Fine Chemical Production: Employed in the manufacture of specialty chemicals, including dyes, pigments, and performance materials.
• Material Science: Potential monomer or modifier in the synthesis of specialized polymers and advanced materials.

Basic Information

Product Name	Benzoic Acid, 4-(1-Methyl-3-Oxopropyl)-, 1,1-Dimethylethyl Ester (9Ci)
CAS No.	389625-40-5
Molecular Formula	C15H20O3
Molecular Weight	248.32 g/mol
Synonyms	tert-Butyl 4-(1-methyl-3-oxobutyl)benzoate; 4-(1-Methyl-3-oxobutyl)benzoic acid tert-butyl ester; 4-(3-Oxo-1-butyl)benzoic acid tert-butyl ester; 4-(3-Oxobutyl)benzoic acid tert-butyl ester; Benzoic acid, 4-(1-methyl-3-oxobutyl)-, 1,1-dimethylethyl ester; tert-Butyl 4-(3-oxobutyl)benzoate; 389625-40-5; tert-Butyl 4-(1-methyl-3-oxopropyl)benzoate
EINECS	Contact for details

Quality Control

Our Benzoic Acid, 4-(1-Methyl-3-Oxopropyl)-, 1,1-Dimethylethyl Ester (9Ci) is produced under strict quality management systems to ensure batch-to-batch consistency and high purity. Each lot is accompanied by a comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles. We support custom synthesis and purity grades tailored to specific project requirements, from research quantities to pilot-scale volumes.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at controlled room temperature (typically 15-25°C). Keep away from heat, sparks, and open flame. For long-term storage, consider an inert atmosphere to maintain optimal stability.

Specification

Item	Specification
Appearance	White to off-white crystalline powder or solid
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 97.0%
Purity (GC)	≥ 96.0%
Melting Point	Contact for details
Loss on Drying	≤ 0.5%
Residue on Ignition	≤ 0.1%

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