Description

7-Isoquinolinol, 2-[2-[(4-Fluorophenyl)Amino]-5,6-Dimethyl-4-Pyrimidinyl]-1,2,3,4-Tetrahydro-1-Methyl-, Benzoate (Ester) (9Ci) is a sophisticated heterocyclic organic compound with a complex molecular architecture, serving as a key advanced intermediate in modern chemical synthesis. Its value lies in its precise structure, which is critical for constructing novel pharmacologically active molecules, particularly in the research and development of targeted therapeutics. This compound is essential for pharmaceutical R&D chemists, agrochemical innovators, and advanced material scientists requiring high-purity, structurally defined building blocks for complex synthesis. The CAS number for this substance is 214539-57-8.

Application

This high-purity chemical intermediate is designed for specialized research and development applications where structural precision is paramount.

• Pharmaceutical Research & Development: A critical building block for the synthesis of novel drug candidates, particularly in oncology and central nervous system (CNS) therapeutic areas.
• Agrochemical Innovation: Used in the research phase for developing new, more effective active ingredients for crop protection.
• Chemical Biology & Proteomics: Serves as a precursor for designing molecular probes and inhibitors to study specific biological pathways and enzyme functions.
• Advanced Material Science: Potential use in the synthesis of organic semiconductors, ligands for catalysis, or specialty polymers requiring specific heterocyclic motifs.
• Contract Research Organizations (CROs) & CDMOs: Supplied as a high-grade intermediate for custom synthesis and process development services.

Basic Information

Product Name	7-Isoquinolinol, 2-[2-[(4-Fluorophenyl)Amino]-5,6-Dimethyl-4-Pyrimidinyl]-1,2,3,4-Tetrahydro-1-Methyl-, Benzoate (Ester) (9Ci)
CAS No.	214539-57-8
Molecular Formula	C29H29FN4O2
Molecular Weight	484.57 g/mol
Synonyms	2-[2-[(4-Fluorophenyl)amino]-5,6-dimethyl-4-pyrimidinyl]-1,2,3,4-tetrahydro-1-methyl-7-isoquinolinyl benzoate; 7-Isoquinolinol, 2-[2-[(4-fluorophenyl)amino]-5,6-dimethyl-4-pyrimidinyl]-1,2,3,4-tetrahydro-1-methyl-, benzoate (ester); Benzoic acid, 2-[2-[(4-fluorophenyl)amino]-5,6-dimethyl-4-pyrimidinyl]-1,2,3,4-tetrahydro-1-methyl-7-isoquinolinyl ester; 214539-57-8 (CAS Registry Number).
EINECS	Contact for details

Quality Control

Our production of this advanced intermediate adheres to strict quality management protocols to ensure batch-to-batch consistency and structural integrity. Each lot is characterized using advanced analytical techniques including NMR, HPLC, and mass spectrometry. A comprehensive Certificate of Analysis (COA) detailing purity, identity, and impurity profiles is provided with every shipment, supporting your regulatory and research documentation needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). This compound is hygroscopic (moisture-sensitive); therefore, containers must be kept tightly sealed in a dry environment to prevent degradation. For long-term storage, consider using desiccants.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
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.