Description

Benzeneacetic Acid, 4-(2-Methylbutyl)-, (+)- (9Ci) CAS NO 67878-54-0 is a chiral, optically active derivative of phenylacetic acid, characterized by its specific (+)-enantiomer configuration and a branched 4-(2-methylbutyl) substituent. This structural specificity makes it a valuable chiral building block and intermediate for synthesizing complex organic molecules with defined stereochemistry. It is primarily needed by research and development laboratories, pharmaceutical companies, and fine chemical manufacturers engaged in the production of active pharmaceutical ingredients (APIs), agrochemicals, and advanced materials.

Application

• Pharmaceutical Intermediate: A key chiral synthon in the asymmetric synthesis of potential drug candidates, particularly for central nervous system (CNS) and anti-inflammatory agents.
• Agrochemical Synthesis: Used in the research and development of enantiomerically pure pesticides and herbicides, where biological activity is often stereospecific.
• Ligand and Catalyst Development: Serves as a precursor for chiral ligands used in asymmetric catalysis, such as in hydrogenation or cross-coupling reactions.
• Flavor and Fragrance Chemistry: Potential intermediate for creating stereochemically defined aroma chemicals and perfumery ingredients.
• Material Science Research: Employed in the synthesis of chiral monomers for advanced polymers and liquid crystals.
• Academic and R&D Laboratories: A valuable reference standard and building block for methodological development in organic and medicinal chemistry.

Basic Information

Item	Details
Product Name	Benzeneacetic Acid, 4-(2-Methylbutyl)-, (+)- (9Ci)
CAS No.	67878-54-0
Molecular Formula	C₁₃H₁₈O₂
Molecular Weight	206.28 g/mol
Synonyms	(+)-4-(2-Methylbutyl)phenylacetic acid; (R)-4-(2-Methylbutyl)phenylacetic acid; D-4-(2-Methylbutyl)phenylacetic acid; (R)-2-(4-(2-Methylbutyl)phenyl)acetic acid; (R)-α-(4-(2-Methylbutyl)phenyl)acetic acid; (R)-Homo(4-(2-methylbutyl)phenyl)acetic acid; (R)-2-(4-(2-Methylpentyl)phenyl)acetic acid (common misnomer); (R)-4-(2-Methylbutyl)benzeneacetic acid
EINECS	Contact for details

Quality Control

Our Benzeneacetic Acid, 4-(2-Methylbutyl)-, (+)- (9Ci) is produced under strict quality management systems. Each batch undergoes comprehensive analytical testing, including chiral purity assessment by HPLC, to ensure high enantiomeric excess (e.e.) and chemical purity. Certificates of Analysis (COA) detailing identity, purity, and specific rotation are available upon request.

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). Keep away from strong bases, oxidizing agents, and heat sources. Due to its acidic nature, handle with appropriate engineering controls.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 98.0%
Enantiomeric Excess (Chiral HPLC)	≥ 99.0%
Specific Rotation [α]₂₀D	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.