104093-34-7

Basic information

• Product Name: 3-Butenoic acid, 4-(4-broMophenyl)-2-oxo-, Methyl ester
• Synonyms: 3-Butenoic acid, 4-(4-broMophenyl)-2-oxo-, Methyl ester;4-(4-bromophenyl)-2-oxo-3-Butenoic acid methyl ester
• CAS NO: 104093-34-7
• Molecular Formula: C₁₁H₉BrO₃
• Molecular Weight: 269.09136
• Mol File: 104093-34-7.mol
• Article Data: 13

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 3-Butenoic acid, 4-(4-broMophenyl)-2-oxo-, Methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Butenoic acid, 4-(4-broMophenyl)-2-oxo-, Methyl ester(104093-34-7)
• EPA Substance Registry System: 3-Butenoic acid, 4-(4-broMophenyl)-2-oxo-, Methyl ester(104093-34-7)

Safety Data

• Hazardous Substances Data: 104093-34-7(Hazardous Substances Data)

Usage

General Description

3-Butenoic acid, 4-(4-bromophenyl)-2-oxo-, methyl ester is a chemical compound that consists of a butenoic acid core with a methyl ester group attached. It also contains a 4-(4-bromophenyl)-2-oxo functional group. 3-Butenoic acid, 4-(4-bromophenyl)-2-oxo-, methyl ester is commonly used in the field of organic chemistry and can be used as a building block for the synthesis of other organic compounds. It is also used in the production of pharmaceuticals, agrochemicals, and other industrial applications. The compound has potential uses in the development of new drugs and materials due to its unique structure and properties.

Upstream product

• 1122-91-4 4-bromo-benzaldehyde 
• 1000400-71-4 4-(4-bromophenyl)-2-oxo-3-butenoic acid potassium salt 
• 74-88-4 methyl iodide 
• 67-56-1 methanol 
• 127-17-3 2-oxo-propionic acid 
• 139005-22-4 4-bromo-(3-carboxyl-3-oxoprop-1-enyl)benzene 

Downstream Products

• 1129491-21-9 methyl (R)-4-(4-bromophenyl)-2-hydroxy-2-((S)-2-oxocyclohexyl)but-(E)-3-enoate 
• 1172623-62-9 (4S,4aR,7aR)-7a-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-4-(4-bromophenyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[b]pyran-2-carboxylic acid methyl ester 
• 1228393-38-1 trimethyl 2-(4-bromophenyl)-4-oxobutane-1,1,4-tricarboxylate 
• 1239317-26-0 methyl 4-(4-bromophenyl)-2-(2,4,6-triisopropylphenylsulfonylimino)but-3-enoate 
• 1380425-48-8 methyl (4S,4aS,8aS)-4-(p-bromophenyl)-8a-trimethylsiloxy-4a,5,6,7,8,8a-hexahydro-4H-chromen-2-carboxylate 
• 1380425-47-7 methyl (4R,4aR,8aR)-4-(p-bromophenyl)-8a-trimethylsiloxy-4a,5,6,7,8,8a-hexahydro-4H-chromen-2-carboxylate 
• 1380425-38-6 methyl (4R,4aR,8aS)-4-(p-bromophenyl)-8a-trimethylsiloxy-4a,5,6,7,8,8a-hexahydro-4H-chromen-2-carboxylate 
• 1380425-36-4 methyl (4S,4aS,8aR)-4-(p-bromophenyl)-8a-trimethylsiloxy-4a,5,6,7,8,8a-hexahydro-4H-chromen-2-carboxylate 
• 1301224-16-7 methyl (4R,4aS,8aR)-4-(p-bromophenyl)-8a-hydroxy-4a,5,6,7,8,8a-hexahydro-4H-chromen-2-carboxylate 
• 1380425-63-7 methyl (4S,4aR,8aS)-4-(p-bromophenyl)-8a-hydroxy-4a,5,6,7,8,8a-hexahydro-4H-chromen-2-carboxylate 
• 1380425-53-5 methyl (4S,4aS,8aS)-4-(p-bromophenyl)-8a-hydroxy-4a,5,6,7,8,8a-hexahydro-4H-chromen-2-carboxylate 
• 1380425-52-4 methyl (4R,4aR,8aR)-4-(p-bromophenyl)-8a-hydroxy-4a,5,6,7,8,8a-hexahydro-4H-chromen-2-carboxylate 
• 1380425-86-4 methyl (4S,4aR,8aR)-4-(p-bromophenyl)-8a-tert-butyldimethylsiloxy-4a,5,6,7,8,8a-hexahydro-4H-chromen-2-carboxylate 
• 1380425-59-1 methyl (4R,4aR,8aS)-4-(p-bromophenyl)-8a-tert-butyldimethylsiloxy-4a,5,6,7,8,8a-hexahydro-4H-chromen-2-carboxylate 

Relevant articles and documents

Asymmetric Catalytic Formal 1,4-Allylation of β,γ-Unsaturated α-Ketoesters: Allylboration/Oxy-Cope Rearrangement

A highly enantioselective formal conjugate allyl addition of allylboronic acids to β,γ-unsaturated α-ketoesters has been realized by employing a chiral NiII/N,N′-dioxide complex as the catalyst. This transformation proceeds by an allylboration/oxy-Cope rearrangement sequence, providing a facile and rapid route to γ-allyl-α-ketoesters with moderate to good yields (65–92 %) and excellent ee values (90–99 % ee). The isolation of 1,2-allylboration products provided insight into the mechanism of the subsequent oxy-Cope rearrangement reaction: substrate-induced chiral transfer and a chiral Lewis acid accelerated process. Based on the experimental investigations and DFT calculations, a rare boatlike transition-state model is proposed as the origin of high chirality transfer during the oxy-Cope rearrangement.

Enantioselective NHC-catalysed redox [4+2]-hetero-Diels-Alder reactions using α-aroyloxyaldehydes and unsaturated ketoesters

N-Heterocyclic carbene (NHC)-catalysed redox [4+2]-hetero-Diels-Alder reactions of α-aroyloxyaldehydes with either β,γ-unsaturated α-ketoesters or α,β-unsaturated γ-ketoesters generates substituted syn-dihydropyranones in good yield with excellent enantioselectivity (up to >99:1 er). The product diastereoselectivity is markedly dependent upon the nature of the unsaturated enone substituent. The presence of either electron-neutral or electron-rich aryl substituents gives excellent diastereoselectivity (up to >99:5 dr), while electron-deficient aryl substituents give reduced diastereoselectivity. In these cases, the syn-dihydropyranone products are more susceptible to base-promoted epimerisation at the C(4)-position under the reaction conditions, accounting for the lower diastereoselectivity obtained.

SUBSTITUTED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXYLIC ACIDS AND METHOD OF USE

The present invention provides for compounds of formula (I) wherein R1, R2, R3, and R4 have any of the values defined in the specification, and pharmaceutically acceptable salts thereof, that are useful as agents in the treatment of diseases and conditions mediated and modulated by CFTR, including cystic fibrosis, Sj?gren's syndrome, pancreatic insufficiency, chronic obstructive lung disease, and chronic obstructive airway disease. Also provided are pharmaceutical compositions comprised of one or more compounds of formula (I).