Description

3-[[(1S,2S)-2-Aminocyclohexyl]Amino]-4-[[3,5-Bis(Trifluoromethyl)Phenyl]Amino]-3-Cyclobutene-1,2-Dione is a sophisticated, high-purity organic compound featuring a unique cyclobutenedione core functionalized with chiral cyclohexylamine and a bis(trifluoromethyl)phenyl group. This structure makes it a valuable advanced pharmaceutical intermediate and a critical building block for medicinal chemistry research. It is primarily utilized by pharmaceutical R&D organizations and fine chemical manufacturers engaged in the synthesis of novel therapeutic agents, particularly in areas requiring chiral specificity and fluorinated motifs.

Application

• Pharmaceutical Intermediate: A key chiral building block in the synthesis of novel drug candidates, especially for targeted therapies.
• Medicinal Chemistry Research: Used in structure-activity relationship (SAR) studies and lead optimization due to its complex, functionalized structure.
• Protease Inhibitor Development: Serves as a precursor or core scaffold in the development of enzyme inhibitors, leveraging its hydrogen-bonding capabilities.
• Fluorinated Compound Synthesis: The bis(trifluoromethyl)phenyl moiety makes it valuable for introducing lipophilicity and metabolic stability into target molecules.
• Chemical Biology Probes: Can be utilized in the design of activity-based probes or affinity labels for studying biological pathways.
• High-Value Fine Chemical Production: Manufactured under strict GMP-like conditions for use in cGMP-compliant pharmaceutical synthesis.

Basic Information

Item	Detail
Product Name	3-[[(1S,2S)-2-Aminocyclohexyl]Amino]-4-[[3,5-Bis(Trifluoromethyl)Phenyl]Amino]-3-Cyclobutene-1,2-Dione
CAS No.	1312991-12-0
Molecular Formula	C20H19F6N3O2
Molecular Weight	447.38 g/mol
Synonyms	(1S,2S)-2-[(4-{[3,5-Bis(trifluoromethyl)phenyl]amino}-1,2-dioxocyclobut-3-en-3-yl)amino]cyclohexan-1-amine; 3-((1S,2S)-2-Aminocyclohexylamino)-4-(3,5-bis(trifluoromethyl)phenylamino)cyclobut-3-ene-1,2-dione; 3-[(1S,2S)-2-Aminocyclohexylamino]-4-[3,5-bis(trifluoromethyl)anilino]cyclobut-3-ene-1,2-dione; CAS 1312991-12-0; 3-((1S,2S)-2-Aminocyclohexylamino)-4-(3,5-bis(trifluoromethyl)phenylamino)-3-cyclobutene-1,2-dione
EINECS	Contact for details

Quality Control

Our production of this high-value intermediate adheres to rigorous quality standards suitable for pharmaceutical R&D and cGMP manufacturing. Every batch undergoes comprehensive analytical characterization, including HPLC, NMR, and MS, to ensure identity, purity, and chiral integrity. A detailed Certificate of Analysis (COA) is provided with each shipment, documenting critical parameters such as assay, enantiomeric excess, and impurity profiles. We operate under a strict quality management system to ensure batch-to-batch consistency and traceability.

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 light-sensitive; therefore, containers should be kept sealed under an inert atmosphere (e.g., nitrogen or argon) when not in use to prevent degradation. For long-term storage, consider freezing at -20°C.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (HPLC)	Conforms to reference standard
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Chiral Purity (Chiral HPLC)	≥ 99.0% e.e.
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 10 ppm

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