612484-27-2

Basic information

• Product Name: Carbamic acid, 2,4-cyclohexadien-1-yl-, 1,1-dimethylethyl ester (9CI)
• Synonyms: Carbamic acid, 2,4-cyclohexadien-1-yl-, 1,1-dimethylethyl ester (9CI)
• CAS NO: 612484-27-2
• Molecular Formula: C₁₁H₁₇NO₂
• Molecular Weight: 195.25818
• Product Categories: N-BOC
• Mol File: 612484-27-2.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 295.6±20.0 °C(Predicted)
• Appearance: /
• Density: 1.02±0.1 g/cm3(Predicted)
• PKA: 11.75±0.20(Predicted)
• CAS DataBase Reference: Carbamic acid, 2,4-cyclohexadien-1-yl-, 1,1-dimethylethyl ester (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Carbamic acid, 2,4-cyclohexadien-1-yl-, 1,1-dimethylethyl ester (9CI)(612484-27-2)
• EPA Substance Registry System: Carbamic acid, 2,4-cyclohexadien-1-yl-, 1,1-dimethylethyl ester (9CI)(612484-27-2)

Safety Data

• Hazardous Substances Data: 612484-27-2(Hazardous Substances Data)

Upstream product

• 4248-19-5 tert-butyl carbazate 
• 1165952-91-9 cyclohexa-1,3-diene 

Relevant articles and documents

A Forbidden Rearrangement

(Equation presented) A barrelene derivative fragments to afford benzene and trappable 1,2,3-tricyanocyclopropene. The barrelene anion fragments more easily to liberate benzene and the 1,2,3-tricyanocyclopropenyl anion, which is not trappable or stable in solution. However, the major thermal product from the barrelene anion is a rearranged allyl anion that is formed by disrotatory cleavage of the cyclopropyl ring, a formally Woodward-Hoffmann-forbidden process. Several proposals are offered to rationalize this forbidden rearrangement.