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6-methyl-2-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]-1,3,6,2-dioxazaborocane-4,8-dione

CAS 1309955-07-4Formula C9H11BF3NO4MW 265PubChem 86811543

This is a complex organoboron compound featuring a dioxazaborocane ring, a methyl group, and a stereospecific trifluoromethylcyclopropyl moiety. It is primarily intended for research and development as a functionalized intermediate.

Loading RDKit molecule structure...
InChIKey: MZVOQXONPHPGGX-WDSKDSINSA-NC9H11BF3NO4 | MW 265

Chemical Identity

Molecular Formula

C9H11BF3NO4

Molecular Weight

265 g/mol

Exact Mass

265.073323

PubChem CID

86811543

SMILES String

CN1CC(=O)OB([C@H]2C[C@@H]2C(F)(F)F)OC(=O)C1

External Identifiers
SCHEMBL24101783EN300-154843

Catalog Overview

6-methyl-2-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]-1,3,6,2-dioxazaborocane-4,8-dione, with CAS 1309955-07-4 and molecular formula C9H11BF3NO4, is a chiral organoboron compound. Its structure incorporates a unique 1,3,6,2-dioxazaborocane ring system, a methyl substituent, and a (1S,2S)-2-(trifluoromethyl)cyclopropyl group. This compound is classified as a functionalized intermediate, suggesting its utility in multi-step organic synthesis. The presence of a trifluoromethyl group often imparts enhanced lipophilicity, metabolic stability, and specific electronic properties, making it valuable for synthesizing advanced intermediates...

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Read more catalog context

6-methyl-2-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]-1,3,6,2-dioxazaborocane-4,8-dione, with CAS 1309955-07-4 and molecular formula C9H11BF3NO4, is a chiral organoboron compound. Its structure incorporates a unique 1,3,6,2-dioxazaborocane ring system, a methyl substituent, and a (1S,2S)-2-(trifluoromethyl)cyclopropyl group. This compound is classified as a functionalized intermediate, suggesting its utility in multi-step organic synthesis. The presence of a trifluoromethyl group often imparts enhanced lipophilicity, metabolic stability, and specific electronic properties, making it valuable for synthesizing advanced intermediates or target molecules in medicinal chemistry and materials science research. The defined stereochemistry of the cyclopropyl ring further indicates its potential for applications requiring high stereoselectivity.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

white crystalline powder

Physical State

solid

Melting Point

110.0 °C

Boiling Point

350.0 °C

Density

1.35 g/cm³

Water Solubility

sparingly soluble

Flash Point

200.0 °C

Applications / Classifications

Research intermediateCustom synthesis building block

Biological Target Reference

No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.

Preliminary Safety-Style Reference

Preliminary

Preliminary safety-style information for reference only. Not a supplier SDS.

Handling and Storage
  • For research use only. Handle with appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Use in a well-ventilated area or under a fume hood to avoid inhalation. Avoid contact with skin and eyes. In case of contact, rinse immediately with plenty of water. Consult the Safety Data Sheet (SDS) for detailed hazard information and safe handling procedures before use. Store in a cool, dry place, away from incompatible materials.

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