107829-39-0

Basic information

• Product Name: 4-tert-butyl-1-(4-ethynylphenyl)-2,6,7-trioxabicyclo[2.2.2]octane-3-carbonitrile
• Synonyms: 2,6,7-Trioxabicyclo(2.2.2)octane-3-carbonitrile, 4-(1,1-dimethylethyl)-1-(4-ethynylphenyl)-; 4-(1,1-Dimethylethyl)-1-(4-ethynylphenyl)-2,6,7-trioxabicyclo(2.2.2)octane-3-carbonitrile
• CAS NO: 107829-39-0
• Molecular Formula: C₁₈H₁₉NO₃
• Molecular Weight: 297.3484
• Mol File: 107829-39-0.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 413.6°C at 760 mmHg
• Flash Point: 157.2°C
• Density: 1.2g/cm³
• Vapor Pressure: 4.73E-07mmHg at 25°C
• Refractive Index: 1.569
• CAS DataBase Reference: 4-tert-butyl-1-(4-ethynylphenyl)-2,6,7-trioxabicyclo[2.2.2]octane-3-carbonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 4-tert-butyl-1-(4-ethynylphenyl)-2,6,7-trioxabicyclo[2.2.2]octane-3-carbonitrile(107829-39-0)
• EPA Substance Registry System: 4-tert-butyl-1-(4-ethynylphenyl)-2,6,7-trioxabicyclo[2.2.2]octane-3-carbonitrile(107829-39-0)

Safety Data

• Hazardous Substances Data: 107829-39-0(Hazardous Substances Data)

Upstream product

• 114096-09-2 (+/-)-4-tert-butyl-3-cyano-1-(4-trimethylsilaethynylphenyl)-2,6,7-trioxabicyclo<2.2.2>octane 
• 114096-08-1 (+/-)-4-tert-butyl-3-cyano-1-(4-iodophenyl)-2,6,7-trioxabicyclo<2.2.2>octane 
• 114096-07-0 (+/-)-3-tert-butyl-3-<<(4-iodobenzoyl)oxy>cyanomethyl>oxetane 
• 107829-98-1 3-t-butyl-3-formyl-oxetane 
• 99250-47-2 3-t-butyl-3-hydroxymethyl-oxetane 

Relevant articles and documents

Pesticidal compounds

The present invention relates to a compound of the formula (I): STR1 wherein R is C2-10 alkyl, alkenyl or alkynyl, each optionally substituted by or methyl substituted by cyano, C3-4 cycloalkyl, halo, C1-4 alkoxy or a group S(O)m R4 where R4 is C1-4 alkyl and m is 0, 1 or 2, or Ris C3-10 cycloalkyl, C4-10 cycloalkenyl or phenyl, each optionally substituted by C1-4 alkoxy, C1-3 alkyl, C2-4 alkynyl, halo, cyano or a group S(O)m R4 as defined hereinbefore; R1 is halo, C1-3 alkyl, C2-3 alkenyl or alkynyl each optionally substituted by halo, cyano, C1-4 alkoxy, alkyl carbalkoxy containing up to 6 carbon atoms, a group S(O)m R4 as defined hereinbefore or alkynyl substituted by tri-C1-4 alkylsilyl, or R1 is cyano, spiro-cyclopropyl, gem dimethyl, gem dicyano, gem diethynyl, oxo or methylene optionally substituted by cyano of C1-3 alkyl optionally substituted by fluorine, or R1 and R and the carbon atoms to which they are attached form a C5-7 carbocyclic ring optionally substituted by halo, C1-3 alkyl or alkoxy or C2-3 alkenyl, R2 is phenyl substituted by an C2-3 alkynyl group or by a tri-C1-4 alkylsilylalkynyl group and R3 is hydrogen, C1-3 alkyl, C2-3 alkenyl or alkynyl each optionally substituted by cyano, C1-4 alkylthio, C1-4 alkoxy or halo, or R3 is cyano or halo, its use in medicine, pharmaceutical compositions containing it and its preparation.