Description

1H-Isoindole-1,3(2H)-Dione, 3A,4,7,7A-Tetrahydro-2-(Hydroxymethyl)-3A-Mercapto-4-Methyl- is a high-purity, functionalized isoindole derivative of significant interest in advanced organic synthesis. This compound matters as a versatile chiral building block, offering a unique combination of a hydroxymethyl group and a mercapto moiety on a saturated bicyclic framework, enabling the construction of complex molecular architectures. It is primarily needed by research chemists and process development scientists in the pharmaceutical and agrochemical industries for applications in medicinal chemistry and asymmetric synthesis.

Application

• Pharmaceutical Intermediate: Serves as a key chiral synthon for the development of novel active pharmaceutical ingredients (APIs), particularly those targeting neurological and metabolic disorders.
• Asymmetric Catalyst Ligand Precursor: The mercapto and hydroxymethyl functional groups make it a valuable precursor for synthesizing novel ligands used in asymmetric hydrogenation and other chiral transformations.
• Peptidomimetic Research: Used in the design and synthesis of peptidomimetics and conformationally constrained amino acid analogs for drug discovery programs.
• Agrochemical Synthesis: Employed in the research and development of new herbicides and fungicides that require specific stereochemistry for optimal activity.
• Material Science Monomer: Investigated as a specialty monomer for creating polymers with unique thermal or mechanical properties derived from its rigid, functionalized structure.
• Chemical Biology Probe Development: Utilized to create molecular probes for studying enzyme function and protein-protein interactions due to its reactive handles.

Basic Information

Product Name	1H-Isoindole-1,3(2H)-Dione, 3A,4,7,7A-Tetrahydro-2-(Hydroxymethyl)-3A-Mercapto-4-Methyl-
CAS No.	821769-23-7
Molecular Formula	C10H13NO3S
Molecular Weight	227.28 g/mol
Synonyms	4-Methyl-2-(hydroxymethyl)-3a-mercapto-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione; 3a-Mercapto-4-methyl-2-hydroxymethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione; Tetrahydro-2-(hydroxymethyl)-3a-mercapto-4-methyl-isoindole-1,3-dione; Chiral Isoindole Dione Derivative; Mercapto-functionalized Isoindole Dione; (3aR,4R,7R,7aS)-rel-2-(Hydroxymethyl)-4-methyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dithione? (stereoisomer check)
EINECS	Contact for details

Quality Control

Our production of 1H-Isoindole-1,3(2H)-Dione, 3A,4,7,7A-Tetrahydro-2-(Hydroxymethyl)-3A-Mercapto-4-Methyl- (CAS 821769-23-7) adheres to stringent quality management protocols. Each batch undergoes comprehensive analytical testing, including chiral purity assessment, to ensure it meets the exacting standards required for research and development. Certificates of Analysis (COA) detailing identity, purity, and impurity profiles are provided with every shipment. We support compliance with REACH and other relevant global regulatory frameworks.

Storage

Preserve in a tightly closed container, protected from light. Store under an inert atmosphere (e.g., nitrogen or argon) at a controlled room temperature (15-25°C) to minimize oxidation and degradation. This material is light-sensitive and easily oxidized; prolonged exposure to air, light, or elevated temperatures should be avoided to maintain stability and purity.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 97.0%
Chiral Purity (Chiral HPLC)	≥ 98.0% e.e.
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Single Unknown Impurity (HPLC)	≤ 0.5%
Total Impurities (HPLC)	≤ 2.0%

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