Description

4,4,6-Trimethyl-2-(3,3,3-trifluoroprop-1-en-2-yl)-1,3,2-dioxaborinane (CAS No. 1011460-68-6) is a highly specialized organoboron compound with the molecular formula C₉H₁₄BF₃O₂. This dioxaborinane derivative features a trifluoropropenyl group, making it a valuable reagent in synthetic chemistry and materials science. Its unique structure offers stability and reactivity, particularly in cross-coupling reactions and as a precursor for fluorinated organic frameworks. The compound is supplied as a high-purity solid or solution, rigorously tested for consistency and quality, ensuring optimal performance in research and industrial applications. Store under inert conditions to maintain stability.

Properties

• CAS Number: 1011460-68-6
• Complexity: 263
• IUPAC Name: 4,4,6-trimethyl-2-[1-(trifluoromethyl)vinyl]-1,3,2-dioxaborinane
• InChI: InChI=1S/C9H14BF3O2/c1-6-5-8(3,4)15-10(14-6)7(2)9(11,12)13/h6H,2,5H2,1,3-4H3
• InChI Key: GGSSZVWESZQFOZ-UHFFFAOYSA-N
• Exact Mass: 222.1038943
• Molecular Formula: C9H14BF3O2
• Molecular Weight: 222.01
• SMILES: B1(OC(CC(O1)(C)C)C)C(=C)C(F)(F)F
• Topological: 18.5
• Monoisotopic Mass: 222.1038943
• Synonyms: 1011460-68-6, 4,4,6-trimethyl-2-(3,3,3-trifluoroprop-1-en-2-yl)-1,3,2-dioxaborinane, DTXSID10585994, DTXCID60536759, 1-(Trifluoromethyl)vinylboronic acid hexylene glycol ester, 4,4,6-Trimethyl-2-[1-(trifluoromethyl)vinyl]-1,3,2-dioxaborinane, 1,3,2-Dioxaborinane, 4,4,6-trimethyl-2-[1-(trifluoromethyl)ethenyl]-, MFCD08669623, 4,4,6-Trimethyl-2-[1-(trifluoromethyl)ethenyl]-1,3,2-dioxaborinane, SCHEMBL393370, 1-(TRIFLUOROMETHYL)VINYL BORONIC ACID HEXYLENE GLYCOL ESTER, SBB096230, AKOS037647102, PB39382, AS-72331, SY064668, CS-0086459, 4,4,6-Trimethyl-2-(1-trifluoromethyl-vinyl)-[1,3,2]dioxaborinane, 4,4,6-trimethyl-2-[1-(trifluoromethyl)vinyl]-1,3,2-dioxaborane, 4,4,6-trimethyl-2-(1,1,1-trifluoroprop-2-en-2-yl)-1,3,2-dioxaborinane, 4,4,6-trimethyl-2-(3,3,3-trifluoroprop-1-en-2-yl)1,3,2-dioxaborinane

Application

This compound is primarily used as a boron-containing building block in organic synthesis, particularly in Suzuki-Miyaura cross-coupling reactions to introduce fluorinated alkenyl groups. It also serves as a key intermediate in the development of fluorinated polymers and pharmaceutical candidates, where its trifluoromethyl moiety enhances metabolic stability. Researchers leverage its reactivity for constructing complex molecules in agrochemical and materials science applications.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (100%)

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