102697-45-0

Basic information

• Product Name: (4-methylsulfonylphenyl)-2-oxo-acetic acid ethyl ester
• Synonyms: (4-methylsulfonylphenyl)-2-oxo-acetic acid ethyl ester
• CAS NO: 102697-45-0
• Molecular Weight: 256.279
• Mol File: 102697-45-0.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: (4-methylsulfonylphenyl)-2-oxo-acetic acid ethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: (4-methylsulfonylphenyl)-2-oxo-acetic acid ethyl ester(102697-45-0)
• EPA Substance Registry System: (4-methylsulfonylphenyl)-2-oxo-acetic acid ethyl ester(102697-45-0)

Safety Data

• Hazardous Substances Data: 102697-45-0(Hazardous Substances Data)

Upstream product

• 18620-04-7 4-thioanisolemagnesium bromide 
• 62936-31-6 (4-methylsulfanylphenyl)oxoacetic acid ethyl ester 

Downstream Products

• 189954-96-9 3-(Cyclopropylmethoxy)-5.5-dimethyl-4-(4-(methylsulfonyl)phenyl)-5H-furan-2-one 
• 180048-73-1 2-hydroxy-2-methyl-1-(4-(methylsulfonyl)-phenyl)propan-1-one 
• 1033780-05-0 (E)-N-benzothiazol-2-yl-2-cyclopentyloxyimino-2-(4-methanesulfonyl-phenyl)-acetamide 
• 1033780-29-8 (E)-cyclopentyloxyimino-(4-methanesulfonyl-phenyl)-acetic acid 
• 1033780-28-7 (E)-cyclopentyloxyimino-(4-methanesulfonyl-phenyl)-acetic acid ethyl ester 

Relevant articles and documents

Preparation method of ferocoxib

The invention relates to the technical field of medicines, in particular to a preparation method of ferocoxib. According to the preparation method, use of volatile heavy-odor raw material thioanisoleis avoided, and use of volatile high-corrosion heavy-odor isobutyryl chloride is avoided, so that environmental protection advantages are obvious; a hydroxyl compound is used for preparing a compoundwith a structure shown in a formula VI, so that use of liquid bromine with high volatility, high toxicity and high corrosivity can be avoided; a compound with a structure shown in a formula V, acetoxyacetyl chloride, an alkali and an organic solvent are mixed for carrying out an esterification reaction to obtain a compound with a structure shown in a formula VI, so that use of cyclopropoxy aceticacid which cannot be industrially produced on a scale is avoided, and then the process is easier to popularize. A test result shows that the preparation method of ferocoxib is more green and environmentally friendly, is more suitable for industrial popularization, and is far superior to the prior art.

Captodative Rate Enhancements in the Methylenecyclopropane Rearrangement

A series of 2-aryl-2-carbethoxy-3,3-dimethylmethylenecyclopropanes, 7, with substitution in the para position of the aromatic ring, have been prepared.These substrates rearrange thermally to 2-aryl-2-carbethoxyisopropylidenecyclopropanes, 8, by fragmentation of the cyclopropane bond which gives a biradical intermediate.Rates of this rearrangement are substituent-dependent.Electron-donor substituents such as p-OCH3 and p-SCH3 enhance the rearrangement rate to a greater extent than that predicted by their rate-enhancing effect on the "parent" system, 3-aryl-2,2-dimethylmethylenecyclopropane (4).This enhanced rearrangement rate is attributed to the captodative effect in which the acceptor carbethoxy group and the donor group on the aromatic ring exert a synergistic stabilizing effect on the benzylic portion of the biradical intermediate. p-Fluoro and p-methyl substituents are also capable of acting as true donor groups in captodative systems.Rearrangement rates of 7 containing electron-donor groups correlate with ?+ values, which are a measure of the donor abilities of various groups.The captodative effect has been used as a probe for the mechanism of stabilization of free radicals by the sulfinyl group, SOCH3.No captodative rate enhancement is observed when 7-p-SOCH3 is rearranged.This implies that stabilization of free radicals by the sulfinyl group does not involve utilization of the sulfur nonbonding electron pair in a donor fashion, but probably involves this group acting as an acceptor group.