Description

Benzoic Acid, 4-(3-Hydroxy-2-Methylpropyl)-, Methyl Ester, (S)- (9Ci) is a chiral, optically active ester derivative of benzoic acid, distinguished by its specific stereochemistry and functional groups. This compound is valued as a high-purity synthetic intermediate for its role in constructing complex molecular architectures, particularly in the synthesis of active pharmaceutical ingredients (APIs) and advanced fine chemicals. It is essential for research and development chemists and process engineers in the pharmaceutical, agrochemical, and specialty chemical industries who require precise stereochemical control and reliable material quality for their synthetic pathways.

Application

• Pharmaceutical Intermediate: A key chiral building block in the synthesis of novel therapeutic agents and active pharmaceutical ingredients (APIs), where its specific (S)- configuration is critical for biological activity.
• Agrochemical Synthesis: Used in the research and production of advanced pesticides and herbicides, contributing to the development of compounds with enhanced efficacy and selectivity.
• Fine Chemical Production: Serves as a versatile intermediate for manufacturing specialty chemicals, including flavors, fragrances, and performance materials.
• Academic & Industrial R&D: A valuable reagent for method development and exploratory chemistry in laboratories focused on organic synthesis, medicinal chemistry, and process optimization.
• Asymmetric Catalysis Studies: Employed as a substrate or ligand precursor in the development and testing of new chiral catalysts and synthetic methodologies.

Basic Information

Product Name	Benzoic Acid, 4-(3-Hydroxy-2-Methylpropyl)-, Methyl Ester, (S)- (9Ci)
CAS No.	170955-25-6
Molecular Formula	C12H16O3
Molecular Weight	208.25 g/mol
Synonyms	(S)-Methyl 4-(3-hydroxy-2-methylpropyl)benzoate; (S)-Benzoic acid, 4-(3-hydroxy-2-methylpropyl)-, methyl ester; Methyl (S)-4-(3-hydroxy-2-methylpropyl)benzoate; (S)-4-(3-Hydroxy-2-methylpropyl)benzoic acid methyl ester; (S)-HMBE; (S)-Methyl 4-(3-hydroxy-2-methylpropyl)benzoic acid ester; Optically active HMBE methyl ester
EINECS	Contact for details

Quality Control

Our production of Benzoic Acid, 4-(3-Hydroxy-2-Methylpropyl)-, Methyl Ester, (S)- (9Ci) adheres to stringent quality management systems to ensure batch-to-batch consistency and high purity. Each lot undergoes comprehensive analytical testing, including chiral purity assay and impurity profiling, to meet the exacting standards required for pharmaceutical and fine chemical applications. Certificates of Analysis (COA) detailing identity, purity, and specific test results are provided and can be tailored to meet customer or regulatory specifications (e.g., ICH guidelines).

Storage

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

Specification

Item	Specification
Appearance	White to off-white crystalline powder or solid
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 98.0%
Chiral Purity (Chiral HPLC)	≥ 99.0% ee (S)-isomer
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 20 ppm

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