Description

(αs,3As,4S,6S,7Ar)-α-Butylhexahydro-3A,5,5-Trimethyl-4,6-Methano-1,3,2-Benzodioxaborole-2-Methanamine 2,2,2-Trifluoroacetate is a high-purity, advanced pharmaceutical intermediate and chiral building block of significant synthetic value. This compound is specifically engineered for applications requiring precise stereochemistry and boron-containing molecular scaffolds. It is primarily utilized by research institutions and pharmaceutical companies engaged in the development of novel therapeutics, particularly in areas like enzyme inhibition and targeted drug delivery.

Application

• Pharmaceutical Intermediate: A key chiral precursor in the synthesis of complex active pharmaceutical ingredients (APIs), especially those targeting neurological and metabolic disorders.
• Boron Neutron Capture Therapy (BNCT) Agent Development: Serves as a sophisticated precursor for creating boron-containing compounds used in experimental cancer treatment research.
• Asymmetric Catalysis & Ligand Synthesis: Used in the development of novel chiral ligands and catalysts for stereoselective organic transformations.
• Medicinal Chemistry Research: A valuable building block for constructing diverse compound libraries in drug discovery programs focused on protease and hydrolase inhibition.
• Advanced Material Science: Potential use in the synthesis of specialty polymers and organic electronic materials requiring specific molecular architectures.

Basic Information

Product Name	(αs,3As,4S,6S,7Ar)-α-Butylhexahydro-3A,5,5-Trimethyl-4,6-Methano-1,3,2-Benzodioxaborole-2-Methanamine 2,2,2-Trifluoroacetate
CAS No.	1135491-95-0
Molecular Formula	C₁₉H₃₃BF₃NO₄
Molecular Weight	419.28 g/mol
Synonyms	(1S,2S,3R,5S)-6,6-Dimethyl-2-(4-methylpentyl)-3-(trifluoroacetamido)-4-oxa-3-boratricyclo[3.3.1.13,7]decane; Pinanediol (1S,2S,3R,5S)-α-Butylboronate Trifluoroacetate Salt; (1S,2S,3R,5S)-Pinanediol α-Butylboronic Acid Trifluoroacetate Ester; α-Butylboronic Acid Pinanediol Ester Trifluoroacetate; Chiral Pinanediol Boronate Ester; TFA Salt of Pinanediol α-Butylboronate; (1S,2S,3R,5S)-6,6-Dimethyl-2-(4-methylpentyl)-4-oxa-3-boratricyclo[3.3.1.13,7]decan-3-aminium 2,2,2-trifluoroacetate
EINECS	Contact for details

Quality Control

Our production of this advanced intermediate adheres to strict quality management systems, ensuring batch-to-batch consistency and high chemical purity. Quality is verified through comprehensive analytical techniques including HPLC, chiral HPLC, NMR (¹H, ¹³C, ¹¹B, ¹⁹F), and mass spectrometry. A detailed Certificate of Analysis (COA) is provided with each shipment, documenting identity, purity, enantiomeric excess, and impurity profiles.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at 2-8°C. This product is hygroscopic (moisture-sensitive) and should be handled under an inert atmosphere (argon or nitrogen) for long-term storage to maintain stability and purity. Allow the sealed container to reach room temperature before opening to prevent moisture condensation.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Enantiomeric Excess (Chiral HPLC)	≥ 99.0%
Water Content (KF)	≤ 0.5%
Residual Solvents (GC)	Meets ICH guidelines

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