Description

4H-Cyclopentoxazole-5,6-diol, 2-(dimethylamino)-3a,5,6,6a-tetrahydro-4-(phenylmethoxy)methyl-, dibenzoate (ester), 3aS-(3a.alpha.,4.alpha.,5.beta.,6.alpha.,6a.alpha.)- is a high-purity, complex heterocyclic compound with a defined stereochemistry, serving as a critical advanced pharmaceutical intermediate or research chemical. Its intricate molecular architecture, featuring fused oxazole and cyclopentane rings with multiple chiral centers, makes it a valuable building block for the synthesis of novel bioactive molecules. This compound is primarily utilized by pharmaceutical R&D teams and fine chemical manufacturers engaged in developing new therapeutic agents, particularly in areas requiring sophisticated chiral scaffolds.

Application

• Pharmaceutical Intermediate: Serves as a key chiral precursor in the multi-step synthesis of potential drug candidates, especially for central nervous system (CNS) or antiviral targets.
• Medicinal Chemistry Research: Used as a scaffold for structure-activity relationship (SAR) studies to explore new chemical entities and optimize biological activity.
• Process Chemistry Development: Employed in route scouting and optimization for the scalable production of complex active pharmaceutical ingredients (APIs).
• Asymmetric Synthesis: Acts as a starting material or intermediate in stereoselective synthesis due to its multiple defined stereocenters.
• Biochemical Tool Compound: Potential use in biochemical assays as a probe to study specific enzyme interactions or pathways.
• Academic Research: Utilized in university and institutional labs for advanced organic synthesis projects and methodology development.

Basic Information

Product Name	4H-Cyclopentoxazole-5,6-diol, 2-(dimethylamino)-3a,5,6,6a-tetrahydro-4-(phenylmethoxy)methyl-, dibenzoate (ester), 3aS-(3a.alpha.,4.alpha.,5.beta.,6.alpha.,6a.alpha.)-
CAS No.	171357-45-2
Molecular Formula	Contact for details
Molecular Weight	Contact for details
Synonyms	(3aS,4R,5S,6R,6aR)-2-(Dimethylamino)-4-[(phenylmethoxy)methyl]-3a,5,6,6a-tetrahydro-4H-cyclopenta[d][1,3]oxazole-5,6-diyl dibenzoate; 4H-Cyclopenta[d][1,3]oxazole-5,6-diol, 2-(dimethylamino)-3a,5,6,6a-tetrahydro-4-[(phenylmethoxy)methyl]-, dibenzoate, (3aR,4S,5R,6S,6aR)-rel-; 2-(Dimethylamino)-4-[(benzyloxy)methyl]-3a,5,6,6a-tetrahydro-4H-cyclopenta[d][1,3]oxazole-5,6-diyl dibenzoate; CAS 171357-45-2; Advanced Oxazole Intermediate
EINECS	Contact for details

Quality Control

Our production of this advanced intermediate adheres to strict quality management systems, ensuring batch-to-batch consistency and reliability for critical R&D and scale-up processes. Quality is verified through comprehensive analytical techniques including HPLC for purity and impurity profiling, chiral analysis to confirm stereochemical integrity, and NMR for structural confirmation. A detailed Certificate of Analysis (COA) is provided with each shipment, documenting all relevant specifications. We support compliance with cGMP standards where required for pharmaceutical development.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (typically 15-25°C). The compound may be hygroscopic and/or sensitive to prolonged exposure to air; therefore, containers should be kept tightly sealed and under an inert atmosphere if specified. Keep away from incompatible materials.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Chiral Purity	≥ 98.0% ee
Water Content (KF)	≤ 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.