Description

Benzoic Acid, 4-[(1R,3S)-3-Hydroxy-1-Methylbutyl]-, Methyl Ester, Rel- (9Ci) is a high-purity, stereochemically defined benzoic acid derivative. This compound is a valuable chiral building block and intermediate in advanced organic synthesis, prized for its defined stereochemistry which is critical for producing enantiomerically pure products. It is primarily utilized by research institutions and industrial R&D departments in the pharmaceutical and fine chemical sectors for the development of active pharmaceutical ingredients (APIs) and specialty chemicals.

Application

• Pharmaceutical Intermediate: Key chiral synthon in the research and development of novel Active Pharmaceutical Ingredients (APIs), particularly for compounds requiring specific stereochemistry.
• Fine Chemical Synthesis: Serves as a crucial building block for constructing complex organic molecules in custom synthesis and process development.
• Asymmetric Catalysis Research: Used as a ligand precursor or a model substrate in the study and development of new asymmetric catalytic reactions.
• Agrochemical Development: Potential intermediate in the synthesis of advanced, stereoselective agrochemicals and plant growth regulators.
• Academic & Industrial R&D: Essential material for methodological studies in synthetic organic chemistry and for scaling up novel synthetic routes.

Basic Information

Product Name	Benzoic Acid, 4-[(1R,3S)-3-Hydroxy-1-Methylbutyl]-, Methyl Ester, Rel- (9Ci)
CAS No.	497069-11-1
Molecular Formula	C14H20O3
Molecular Weight	236.31 g/mol
Synonyms	Methyl 4-[(1R,3S)-3-Hydroxy-1-methylbutyl]benzoate; Rel-(1R,3S)-Methyl 4-(3-Hydroxy-1-methylbutyl)benzoate; Benzoic acid, 4-[(1R,3S)-3-hydroxy-1-methylbutyl]-, methyl ester, rel-; (rel)-(1R,3S)-Methyl 4-(3-hydroxy-1-methylbutyl)benzoate; 4-[(1R,3S)-3-Hydroxy-1-methylbutyl]benzoic acid methyl ester
EINECS	Contact for details

Quality Control

Our products undergo rigorous quality testing to ensure compliance with industry standards. We provide material with a typical purity of ≥97% (by HPLC), with specifications tailored for research and development use. Certificates of Analysis (COA) detailing identity, purity (HPLC/GC), chiral purity, and residual solvent content are available upon request. Our quality system supports development under cGMP guidelines where required.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). This product is hygroscopic (moisture-sensitive); keep the container tightly sealed under an inert atmosphere if necessary for long-term storage.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥97.0%
Chiral Purity (Chiral HPLC)	≥98.0% de
Water Content (KF)	≤0.5%
Residual Solvents (GC)	Complies with ICH guidelines

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