34959-61-0

Basic information

• Product Name: 2,6-di-tert-butyl-4-(dichloromethylidene)cyclohexa-2,5-dien-1-one
• CAS NO: 34959-61-0
• Molecular Formula: C₁₅H₂₀Cl₂O
• Molecular Weight: 287.2247
• Mol File: 34959-61-0.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 321.7°C at 760 mmHg
• Flash Point: 135.4°C
• Density: 1.15g/cm³
• Vapor Pressure: 0.000293mmHg at 25°C
• Refractive Index: 1.531
• CAS DataBase Reference: 2,6-di-tert-butyl-4-(dichloromethylidene)cyclohexa-2,5-dien-1-one(CAS DataBase Reference)
• NIST Chemistry Reference: 2,6-di-tert-butyl-4-(dichloromethylidene)cyclohexa-2,5-dien-1-one(34959-61-0)
• EPA Substance Registry System: 2,6-di-tert-butyl-4-(dichloromethylidene)cyclohexa-2,5-dien-1-one(34959-61-0)

Safety Data

• Hazardous Substances Data: 34959-61-0(Hazardous Substances Data)

Usage

Appearance

Yellow solid

Reactivity

Highly reactive

Usage

Reagent in organic synthesis

Derivation

Cyclohexa-2,5-dien-1-one

Functional groups

Two tert-butyl groups, two dichloromethylidene groups

Applications

Pharmaceutical and chemical industries

Handling precautions

Handle with care due to potential hazards

Upstream product

• 67-66-3 chloroform 
• 719-22-2 2,6-Di-tert-butyl-1,4-benzoquinone 
• 732-26-3 2,4,6-tri-tert-butylphenoxol 

Downstream Products

• 2511-22-0 methyl 3,5-di-tert-butyl-4-hydroxybenzoate 

Relevant articles and documents

13C-NMR Study of 7,7-Disubstituted Quinone Methides

Carbon-13 chemical shift assignments for nine 7,7-disubstituted 2,6-ditert-butylquinone methides of the types III-VI are reported.The 13C shifts of the exocyclic double bond carbon atoms are extraordinarily sensitive to C(7) substitution, viz. ΔδC(7)=82.4 ppm and ΔδC(4)=56.7 ppm on going from the dimethylamino to the cyano substituent.In contrast, electronic properties of the substituents are only weakly expressed on the carbonyl carbon atom.Satisfactory Swain-Lupton correlations were found for C(1), C(2) and C(4) chemical shifts yielding more than50percent of resonance contribution to the total transmission of substituent effects.Intercorrelations between the exocyclic double bond carbon chemical shifts of the quinone methides and of identically substituted fulvenes as well as styrenes are also presented.