40441-34-7

Basic information

• Product Name: 2-Cyclohexen-1-one, 6-bromo-4,4-dimethyl-
• Synonyms: 2-Cyclohexen-1-one, 6-bromo-4,4-dimethyl-;6-BroMo-4,4-diMethylcyclohex-2-enone
• CAS NO: 40441-34-7
• Molecular Formula: C₈H₁₁BrO
• Molecular Weight: 203.08
• Mol File: 40441-34-7.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 232.5°Cat760mmHg
• Flash Point: 61.1°C
• Appearance: /
• Density: 1.362g/cm³
• Vapor Pressure: 0.0588mmHg at 25°C
• Refractive Index: 1.509
• CAS DataBase Reference: 2-Cyclohexen-1-one, 6-bromo-4,4-dimethyl-(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Cyclohexen-1-one, 6-bromo-4,4-dimethyl-(40441-34-7)
• EPA Substance Registry System: 2-Cyclohexen-1-one, 6-bromo-4,4-dimethyl-(40441-34-7)

Safety Data

• Hazardous Substances Data: 40441-34-7(Hazardous Substances Data)

Usage

InChI:InChI=1/C8H11BrO/c1-8(2)4-3-7(10)6(9)5-8/h3-4,6H,5H2,1-2H3

Upstream product

• 38610-74-1 4,4-dimethylcyclohexa-1,5-dien-1-yl acetate 
• 54781-30-5 5,5-dimethyl-2-<(trimethylsilyl)oxy>-1,3-cyclohexadiene 
• 1073-13-8 4,4-dimethylcyclohexenone 

Downstream Products

• 136840-07-8 6--4,4-dimethylcyclohex-2-en-1-one 
• 136840-03-4 2b-Methoxy-1,1-dimethyl-4-oxo-octahydro-3-oxa-cyclopropa[cd]indene-5-carboxylic acid methyl ester 
• 137967-04-5 6-(6-bromo-4,4-dimethyl-1-hydroxycyclohex-2-enyl)-4,4-dimethylcyclohex-2-en-1-one 
• 1073-14-9 4,4-dimethylcyclohexa-2,5-dienone 

Relevant articles and documents

Cross-conjugated compounds: microwave spectrum of 4,4-dimethyl-2,5-cyclohexadien-1-one

4,4-Dimethyl-2,5-cyclohexadien-1-one has been prepared by a three-step reaction from 4,4-dimethyl-2-cyclohexen-1-one.Microwave transitions of the cross-conjugated compound have been measured over extended regions from 11 to 40 GHz.The spectrum is a classical a-type spectrum of a near-prolate top with many interspersed lines presumably originating from excited vibrational states.No internal rotation splitting could be observed.We were able to assign 108 rotational transitions with J-quantum numbers up to 40.The least-squares fit showed a standard deviation of 30 kHz and yielded the three rotational constants, A = 3332.158(13) MHz, B = 1193.07386(52) MHz, C = 1082.21280(45) MHz, as well as all five quartic centrifugal distortion constants from Watson's A-reduction: ΔJ = 0.02149(73) kHz, ΔJK = 1.1008(16) kHz, ΔK = -68.42(32) kHz, δJ = 0.00332(16) kHz, δK = -2.7513(99) kHz (representation IR used).The dipole moment was determined from the Stark shift of the M-components of two transitions and was found to be 4.4522(83) D from 93 measurements.

5,5-Dibromobarbituric Acid, a Convenient New Reagent for the Bromination of Saturated and α,β-Unsaturated Carbonyl Compounds

5,5-Dibromobarbituric acid (1) was used for the bromination of saturated and α,β-unsaturated aldehydes and keto compounds.