Description

1-(2,2-Difluorobenzo[D][1,3]dioxol-5-YL)cyclopropanecarbonitrile (CAS No. 862574-87-6) is a high-purity fluorinated organic compound with the molecular formula C₁₁H₇F₂NO₂. This specialized chemical features a cyclopropane carbonitrile core linked to a 2,2-difluorobenzo[d][1,3]dioxole moiety, offering unique reactivity and structural properties for advanced research applications. With a molecular weight of 223.18 g/mol, it is supplied as a fine crystalline solid with ≥95% purity (HPLC). Ideal for pharmaceutical intermediates, agrochemical development, and materials science, this compound is rigorously tested for consistency and stored under controlled conditions to ensure stability. Available in research quantities (100mg to 10g) with optional analytical certificates.

Properties

• CAS Number: 862574-87-6
• Complexity: 358
• IUPAC Name: 1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonitrile
• InChI: InChI=1S/C11H7F2NO2/c12-11(13)15-8-2-1-7(5-9(8)16-11)10(6-14)3-4-10/h1-2,5H,3-4H2
• InChI Key: RGKFSYDEMAFDQP-UHFFFAOYSA-N
• Exact Mass: 223.04448479
• Molecular Formula: C11H7F2NO2
• Molecular Weight: 223.17
• SMILES: C1CC1(C#N)C2=CC3=C(C=C2)OC(O3)(F)F
• Topological: 42.3
• Monoisotopic Mass: 223.04448479
• Synonyms: 862574-87-6, 1-(2,2-DIFLUOROBENZO[D][1,3]DIOXOL-5-YL)CYCLOPROPANECARBONITRILE, 1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)cyclopropane-1-carbonitrile, MFCD14155913, 1-(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)CYCLOPROPANE-1-CARBONITRILE, Cyclopropanecarbonitrile, 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-, 1-(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)CYCLOPROPANECARBONITRILE, SCHEMBL350025, 1-(2,2-Difluorobenzodioxol-5-yl)cyclopropanecarbonitrile, BCP14649, CS-M2544, AKOS015968326, DS-9361, PB16563, SY041920, DB-290538, P11693, (2,2-difluoro-1,3-benzodioxol-5-yl)-cyclopropanecarbonitrile, 1-(2,2-difluoro-benzo[1,3]dioxol-5-yl)-cyclopropanecarbonitrile

Application

This compound serves as a versatile building block in medicinal chemistry for the synthesis of fluorinated heterocycles with potential bioactivity. Its difluorobenzodioxole group enhances metabolic stability in drug discovery projects, while the cyclopropane-carbonitrile moiety enables ring-opening reactions for scaffold diversification. Researchers utilize it in the development of CNS-targeting molecules due to its blood-brain barrier permeability characteristics.

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