Cas no 862574-87-6 (1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)cyclopropane-1-carbonitrile)

1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)cyclopropane-1-carbonitrile structure
862574-87-6 structure
Product Name:1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)cyclopropane-1-carbonitrile
CAS No:862574-87-6
MF:C11H7F2NO2
MW:223.175589799881
MDL:MFCD14155913
CID:1065697
PubChem ID:57446150
Update Time:2024-10-26

1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)cyclopropane-1-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarbonitrile
    • 1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonitrile
    • 1-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarbonitrile
    • 1-(2,2-Difluorobenzodioxol-5-yl)cyclopropanecarbonitrile
    • 1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)cyclopropane-1-carbonitrile
    • AK158499
    • Cyclopropanecarbonitrile, 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-
    • C11H7F2NO2
    • RGKFSYDEMAFDQP-UHFFFAOYSA-N
    • BCP14649
    • 3003AH
    • PB16563
    • SY041920
    • AX8292269
    • ST24036993
    • (2,2-difluoro-1,3-benzodioxol-5-yl)
    • 1-(2,2-Difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonitrile (ACI)
    • (2,2-Difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonitrile
    • 862574-87-6
    • DS-9361
    • P11693
    • CS-M2544
    • 1-(2,2-difluoro-benzo[1,3]dioxol-5-yl)-cyclopropanecarbonitrile
    • SCHEMBL350025
    • DB-290538
    • MFCD14155913
    • (2,2-difluoro-1,3-benzodioxol-5-yl)-cyclopropanecarbonitrile
    • 1-(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)CYCLOPROPANECARBONITRILE
    • AKOS015968326
    • MDL： MFCD14155913
    • 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
    • SMILES： N#CC1(CC1)C1C=C2C(OC(O2)(F)F)=CC=1

Computed Properties

  • Exact Mass: 223.04448479g/mol
  • Monoisotopic Mass: 223.04448479g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 1
  • Complexity: 358
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 42.2
  • XLogP3: 2.5

Experimental Properties

  • Boiling Point: 298.7°C at 760 mmHg

1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)cyclopropane-1-carbonitrile Security Information

  • Signal Word：Warning
  • Hazard Statement： H302
  • Warning Statement： P280-P305+P351+P338
  • Storage Condition：Inert atmosphere,Room Temperature

1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)cyclopropane-1-carbonitrile Pricemore >>

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1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)cyclopropane-1-carbonitrile Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Trifluoroacetic acid ,  Thianthrene ,  Potassium hexafluorophosphate Solvents: Acetonitrile ;  2.5 h, 30 °C
1.2 Reagents: Cesium carbonate ;  2.5 h
Reference
Diastereoselective Synthesis of Cyclopropanes from Carbon Pronucleophiles and Alkenes
Kim, Min Ji ; et al, Angewandte Chemie, 2023, 62(21),

Production Method 2

Reaction Conditions
1.1 Solvents: Dimethyl sulfoxide ;  2 min, 21 °C
1.2 Reagents: 1,8-Diazabicyclo[5.4.0]undec-7-ene ;  12 h, 21 °C
Reference
Efficient cyclopropanation of aryl/heteroaryl acetates and acetonitriles with vinyl diphenyl sulfonium triflate
Zhou, Mingwei; et al, Tetrahedron Letters, 2018, 59(14), 1443-1445

Production Method 3

Reaction Conditions
1.1 -
2.1 Solvents: Dimethyl sulfoxide ;  2 min, 21 °C
2.2 Reagents: 1,8-Diazabicyclo[5.4.0]undec-7-ene ;  12 h, 21 °C
Reference
Efficient cyclopropanation of aryl/heteroaryl acetates and acetonitriles with vinyl diphenyl sulfonium triflate
Zhou, Mingwei; et al, Tetrahedron Letters, 2018, 59(14), 1443-1445

1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)cyclopropane-1-carbonitrile Raw materials

1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)cyclopropane-1-carbonitrile Preparation Products

1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)cyclopropane-1-carbonitrile Related Literature

862574-87-6 (1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)cyclopropane-1-carbonitrile) Related Products

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