Description

5-Trifluoromethyl-1,4Diazepane-1-Carboxylic Acid tert-Butyl Ester is a high-value, protected heterocyclic building block featuring a diazepane scaffold and a trifluoromethyl group. This compound is strategically important for medicinal chemistry research and pharmaceutical development, offering a versatile intermediate for the synthesis of novel bioactive molecules. It is primarily utilized by R&D chemists and process development scientists in the pharmaceutical and agrochemical industries to create new drug candidates and fine chemicals.

Application

• Pharmaceutical Intermediate: A key synthon for the research and development of new active pharmaceutical ingredients (APIs), particularly in central nervous system (CNS) and oncology targets.
• Medicinal Chemistry Scaffold: Serves as a versatile core structure for constructing compound libraries in high-throughput screening and structure-activity relationship (SAR) studies.
• Agrochemical Synthesis: Used in the development of advanced crop protection agents, leveraging the stability and lipophilicity imparted by the trifluoromethyl group.
• Chemical Biology Probe Development: Employed in the synthesis of molecular probes for studying enzyme function and biological pathways.
• Process Chemistry: Acts as a critical intermediate in the scale-up and optimization of synthetic routes for complex molecules under Good Manufacturing Practice (GMP) conditions.
• Custom Synthesis & Contract Manufacturing: Supplied to CDMOs (Contract Development and Manufacturing Organizations) for the production of specialized fine chemicals and custom APIs.

Basic Information

Product Name	5-Trifluoromethyl-1,4Diazepane-1-Carboxylic Acid tert-Butyl Ester
CAS No.	1042598-29-7
Molecular Formula	C11H19F3N2O2
Molecular Weight	268.28 g/mol
Synonyms	tert-Butyl 5-(trifluoromethyl)-1,4-diazepane-1-carboxylate; 1,4-Diazepane-1-carboxylic acid, 5-(trifluoromethyl)-, 1,1-dimethylethyl ester; 5-Trifluoromethyl-1,4-diazepane-1-carboxylic acid tert-butyl ester; 1-Boc-5-trifluoromethyl-1,4-diazepane; Boc-5-CF3-1,4-diazepane; 5-(Trifluoromethyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester
EINECS	Contact for details

Quality Control

Our products undergo rigorous quality testing to ensure compliance with industry standards. Each batch of 5-Trifluoromethyl-1,4Diazepane-1-Carboxylic Acid tert-Butyl Ester is characterized using advanced analytical techniques including NMR, HPLC, and GC-MS to confirm identity, purity, and the absence of critical impurities. Certificates of Analysis (COA) with detailed specifications are available upon request. We adhere to strict quality management protocols suitable for research and development applications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (typically 15-25°C). This compound is moisture-sensitive (hygroscopic); keep the container tightly sealed under an inert atmosphere such as nitrogen or argon to prevent degradation. Keep away from strong acids, bases, and oxidizing agents.

Specification

Item	Specification
Appearance	White to off-white solid or powder
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.