Description

2-(4-Isopropoxy-3-Methoxy-Phenyl)-6-Mercapto-4-Oxo-1-Phenyl-1,2,3,4-Tetrahydro-Pyrimidine-5-Carbonitrile is a high-value, multi-functional heterocyclic compound featuring a pyrimidine core with mercapto, cyano, and aryl substituents. This complex molecular architecture makes it a critical advanced pharmaceutical intermediate and a versatile building block for medicinal chemistry research. It is primarily sought after by R&D and production teams in the pharmaceutical, agrochemical, and specialty chemical industries for developing novel active ingredients.

Application

• Pharmaceutical Intermediate: Serves as a key precursor in the synthesis of potential drug candidates, particularly those targeting enzyme inhibition or receptor modulation.
• Medicinal Chemistry Research: Used as a sophisticated scaffold for constructing compound libraries in high-throughput screening and structure-activity relationship (SAR) studies.
• Agrochemical Development: Acts as a building block for novel herbicides, fungicides, or insecticides, leveraging its heterocyclic structure.
• Chemical Biology Probe: Utilized in developing molecular probes to study biological pathways due to its reactive mercapto and cyano groups.
• Organic Synthesis Building Block: Employed in complex multi-step syntheses to introduce the tetrahydro-pyrimidine-5-carbonitrile moiety into target molecules.
• Material Science Research: Investigated as a potential monomer or additive for specialty polymers with unique electronic or thermal properties.

Basic Information

Product Name	2-(4-Isopropoxy-3-Methoxy-Phenyl)-6-Mercapto-4-Oxo-1-Phenyl-1,2,3,4-Tetrahydro-Pyrimidine-5-Carbonitrile
CAS No.	501349-51-5
Molecular Formula	C22H21N3O3S
Molecular Weight	407.49 g/mol
Synonyms	6-Mercapto-2-[4-(1-methylethoxy)-3-methoxyphenyl]-4-oxo-1-phenyl-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile; 1,2,3,4-Tetrahydro-2-[4-(isopropoxy)-3-methoxyphenyl]-6-mercapto-4-oxo-1-phenyl-5-pyrimidinecarbonitrile; 2-(4-Isopropoxy-3-methoxyphenyl)-6-mercapto-4-oxo-1-phenyl-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile; 5-Cyano-2-(4-isopropoxy-3-methoxyphenyl)-6-mercapto-4-oxo-1-phenyl-1,2,3,4-tetrahydropyrimidine; CAS 501349-51-5
EINECS	Contact for details

Quality Control

Our production of this advanced intermediate adheres to strict quality management systems. Every batch undergoes comprehensive analytical testing, including HPLC, NMR, and MS, to ensure identity, purity, and consistency. A detailed Certificate of Analysis (COA) is provided with each shipment, documenting critical specifications such as assay, related substances, and residual solvents. We support development and scale-up with GMP-compatible processes 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). Due to its sensitivity to oxidation, it is recommended to store the product under an inert atmosphere (e.g., nitrogen or argon) for long-term preservation. Keep away from heat, sparks, and open flame.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Retention time matches reference standard
Purity (HPLC)	≥ 98.0%
Related Substances (HPLC)	Total impurities ≤ 2.0%
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.