71135-95-0

Basic information

• Product Name: 2,2-DIMETHYL-6-OXOCYCLOHEXANECARBOXYLIC ACID METHYL ESTER
• Synonyms: 2,2-DIMETHYL-6-OXOCYCLOHEXANECARBOXYLIC ACID METHYL ESTER;methyl 2,2-dimethyl-6-oxocyclohexanecarboxylate
• CAS NO: 71135-95-0
• Molecular Formula: C₁₀H₁₆O₃
• Molecular Weight: 184.23224
• Mol File: 71135-95-0.mol
• Article Data: 18

Chemical Properties

• Boiling Point: 115 °C(Press: 12 Torr)
• Appearance: /
• Density: 1.0532 g/cm3
• PKA: 12.15±0.40(Predicted)
• CAS DataBase Reference: 2,2-DIMETHYL-6-OXOCYCLOHEXANECARBOXYLIC ACID METHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 2,2-DIMETHYL-6-OXOCYCLOHEXANECARBOXYLIC ACID METHYL ESTER(71135-95-0)
• EPA Substance Registry System: 2,2-DIMETHYL-6-OXOCYCLOHEXANECARBOXYLIC ACID METHYL ESTER(71135-95-0)

Safety Data

• Hazardous Substances Data: 71135-95-0(Hazardous Substances Data)

Upstream product

• 105-45-3 acetoacetic acid methyl ester 
• 1193-18-6 3-methylcyclohexen-2-one 
• 17640-15-2 methyl cyanoformate 
• 59373-32-9 methyl 2,2-dimethyl-4,6-dioxocyclohexane-1-carboxylate 
• 110-93-0 6-Methyl-hept-5-en-2-on 
• 870-63-3 prenyl bromide 
• 71203-75-3 7-methyl-3-oxo-methyl-oct-7-en-oate 
• 53067-23-5 methyl 7-methyl-3-oxooct-6-enoate 
• 146335-42-4 4-chloro-6,6-dimethyl-2-oxo-cyclohex-3-enecarboxylic acid methyl ester 

Downstream Products

• 86549-68-0 2,2-Dimethyl-6-oxo-1-(3-oxo-butyl)-cyclohexanecarboxylic acid methyl ester 
• 99978-28-6 Methyl (1R*,6R*)-6-Hydroxy-2,2-dimethylcyclohexane-1-carboxylate 
• 263862-81-3 6,6-dimethyl-2-trifluorometanesulfonyloxy-1-cyclohexene-1-carboxylic acid methyl ester 
• 1620084-68-5 2-(hydroxymethyl)-3,3-dimethylcyclohex-1-en-1-yl trifluoromethanesulfonate 

Relevant articles and documents

Total synthesis of (+/-)-dihydrospiniferin-1 via a polyfluoro alkanosulfonyl fluoride induced tandem carbonium ion rearrangement reaction.

A novel polyfluoroalkanosulfonyl fluoride induced carbonium ion rearrangement reaction of gamma-hydroxymethyl cyclohexenone has been used for the total synthesis of (+/-)dihydrospiniferin 1.

CYCLOHEXEN-1-YL-PYRIDIN-2-YL-1H-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS

The present invention provides a compound of formula (I) or a pharmaceutically acceptable salt thereof; a method for manufacturing the compounds of the invention, and its therapeutic uses. The present invention further provides a combination of pharmacolo

Rapid methylation on carbon frameworks useful for the synthesis of 11CH3-incorporated PET tracers: Pd(0)-mediated rapid coupling of methyl iodide with an alkenyltributylstannane leading to a 1-methylalkene

The Pd(0)-mediated rapid coupling of methyl iodide with an excess of alkenyltributylstannane was examined with the aim of incorporating a short-lived 11C-labeled methyl group into a biologically significant organic compound with a 1-methylalkene unit for the synthesis of a PET tracer. Four sets of reaction conditions (A-D) were used, all performed in DMF at 60 °C for 5 min. Condition B, using CH3I/stannane/Pd2(dba) 3/P(o-tolyl)3/CuCl/K2CO3 (1: 40: 0.5: 4-6: 2: 5), works well in almost all cases. Condition D, using CH 3I/stannane/Pd2(dba)3/P(o-tolyl) 3/CuX (X = Br, Cl, or I)/CsF (1: 40: 0.5-5: 2-20: 2-20: 5-50), shows the best results with regard to general applicability to tin substrates, affording the corresponding methylated product in >90% yield based on consumption of methyl iodide. P(t-Bu)2Me was less effective than P(o-tolyl)3, particularly for α,β-unsaturated carbonyl substrates. No regio- or stereoisomerization occurred under these reaction conditions. The efficiency of the protocol was demonstrated by synthesis of an 11C-methylated compound. The Royal Society of Chemistry 2006.