2904-63-4

Basic information

• Product Name: BenzenecarboxiMidoyl chloride, N-hydroxy-2,4,6-triMethyl-
• Synonyms: BenzenecarboxiMidoyl chloride, N-hydroxy-2,4,6-triMethyl-
• CAS NO: 2904-63-4
• Molecular Formula: C₁₀H₁₂ClNO
• Molecular Weight: 197.66138
• Mol File: 2904-63-4.mol
• Article Data: 10

Chemical Properties

• Melting Point: 61-69 °C
• Boiling Point: 321.2±52.0 °C(Predicted)
• Appearance: /
• Density: 1.13±0.1 g/cm3(Predicted)
• PKA: 10.75±0.70(Predicted)
• CAS DataBase Reference: BenzenecarboxiMidoyl chloride, N-hydroxy-2,4,6-triMethyl-(CAS DataBase Reference)
• NIST Chemistry Reference: BenzenecarboxiMidoyl chloride, N-hydroxy-2,4,6-triMethyl-(2904-63-4)
• EPA Substance Registry System: BenzenecarboxiMidoyl chloride, N-hydroxy-2,4,6-triMethyl-(2904-63-4)

Safety Data

• Hazardous Substances Data: 2904-63-4(Hazardous Substances Data)

Upstream product

• 487-68-3 mesytaldehyde 
• 40188-34-9 2,4,6-trimethylbenzaldehyde oxime 

Downstream Products

• 42811-95-0 3-(2,4,6-trimethyl-phenyl)-(3ar,7ac)-5,6,7,7a-tetrahydro-3aH-benzo[d]isoxazol-4-one 
• 42812-71-5 furan-2-yl-[4t-phenyl-3-(2,4,6-trimethyl-phenyl)-4,5-dihydro-isoxazol-5r-yl]-methanone 
• 42812-27-1 [5t-furan-2-yl-3-(2,4,6-trimethyl-phenyl)-4,5-dihydro-isoxazol-4r-yl]-phenyl-methanone 
• 42812-73-7 [4t-phenyl-3-(2,4,6-trimethyl-phenyl)-4,5-dihydro-isoxazol-5r-yl]-thiophen-2-yl-methanone 
• 61191-69-3 3-(2,4,6-trimethyl-phenyl)-3a,4,5,9b-tetrahydro-naphtho[2,1-d]isoxazole 
• 61191-70-6 1-(2,4,6-trimethyl-phenyl)-3a,4,5,9b-tetrahydro-naphtho[1,2-d]isoxazole 
• 34310-05-9 1-[3-(2,4,6-trimethyl-phenyl)-isoxazol-4-yl]-ethanone 
• 61191-52-4 4r-methyl-5t-phenyl-3-(2,4,6-trimethyl-phenyl)-4,5-dihydro-isoxazole 
• 61191-53-5 5t-methyl-4r-phenyl-3-(2,4,6-trimethyl-phenyl)-4,5-dihydro-isoxazole 
• 42812-38-4 3-(2,4,6-trimethyl-phenyl)-(3ar,6ac)-3a,5,6,6a-tetrahydro-spiro[cyclopenta[d]isoxazole-4,2'-[1,3]dioxolane] 
• 1415246-85-3 C₁₈H₁₅ClN₂O₃ 
• 1415246-92-2 C₁₉H₁₈N₂O₃ 
• 146918-42-5 3-mesityl-5-(2-nitro-phenyl)-isoxazole 
• 1415246-91-1 C₁₉H₁₇ClN₂O₃ 

Relevant articles and documents

Stereospecific 1,4-Metallate Shift Enables Stereoconvergent Synthesis of Ketoximes

Reported herein is a stereospecific 1,4-metallate rearrangement for single-geometry ketoxime synthesis from oxime chlorides and arylboronic acids. This strategy exhibits broad substrate scope with excellent stereoselectivity under mild reaction conditions. In comparison with the conventional approaches, each configuration of unsymmetric diaryl oximes, as well as the thermodynamically less stable Z isomer of aryl alkyl ketoximes can be selectively and exclusively obtained. The reactivities of unsymmetric diaryl oximes and the Z isomer of aryl alkyl oximes, a class of underexplored molecules, enables efficient access to the corresponding isoquinolines, isoquinoline N-oxides, and amides having a single configuration.

Highly regioselective nitrile oxide dipolar cycloadditions with ortho-nitrophenyl alkynes

The dipolar cycloadditions of ortho-nitrophenyl alkynes with aryl nitrile oxides has been demonstrated. A range of substituents are tolerated on the alkyne. These reactions proceed with excellent levels of regioselectivity. Subsequent functionalization of the isoxazole scaffold has been demonstrated.

Regioselective synthesis and side-chain metallation and elaboration of 3-aryl-5-alkylisoxazoles

A number of 3-aryl-5-alkylisoxazoles have been synthesized in high yields by reacting arylnitrile oxides with free enolate ions regioselectively obtained by metallation of various alkyl methyl ketones with LDA in THF at -78°C followed by dehydration. Inve