3-[(2-Methyl-2-Propanyl)Oxy]Bicyclo[2.2.1]Hept-5-Ene-2-Carbonitrile
[CAS 491838-16-5]

Identification

• Name: 3-[(2-Methyl-2-Propanyl)Oxy]Bicyclo[2.2.1]Hept-5-Ene-2-Carbonitrile
• Synonyms: 3-(tert-butoxy)bicyclo[2.2.1]hept-5-ene-2-carbonitrile; 3-tert-Butoxybicyclo[2.2.1]hept-5-ene-2-carbonitrile; InChI=1/C12H17NO/c1-12(2,3)14-11-9-5-4-8(6-9)10(11)7-13/h4-5,8-11H,6H2,1-3H3
• Molecular Formula: C₁₂H₁₇NO
• Molecular Weight: 191.27
• CAS Registry Number: 491838-16-5
• SMILES: CC(C)(C)OC1C2CC(C1C#N)C=C2
• InChI: 1S/C12H17NO/c1-12(2,3)14-11-9-5-4-8(6-9)10(11)7-13/h4-5,8-11H,6H2,1-3H3
• InChIKey: GEDWMZKTLNGVKN-UHFFFAOYSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 289.9±40.0°C at 760 mmHg (Cal.)
• Flash point: 122.0±21.2°C (Cal.)
• Refractive index: 1.505 (Cal.)

References

• (1): Pamela J. Bradley and David H. Grayson. The Diels–Alder reactivity of (E)-3-phenylsulfonylprop-2-enenitrile, a cyanoacetylene equivalent, J. Chem. Soc., Perkin Trans. 1, 2002, 0, 1794.