7064-02-0

Basic information

• Product Name: 5-{[3-(4-methoxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4-methyl-6-morpholin-4-yl-2-oxo-1-propyl-1,2-dihydropyridine-3-carbonitrile
• CAS NO: 7064-02-0
• Molecular Formula: C₁₆H₁₃NO₂
• Molecular Weight: 524.6549
• Mol File: 7064-02-0.mol

Chemical Properties

• Boiling Point: 564.5°C at 760 mmHg
• Flash Point: 295.2°C
• Density: 1.39g/cm³
• Vapor Pressure: 9.18E-13mmHg at 25°C
• Refractive Index: 1.681
• CAS DataBase Reference: 5-{[3-(4-methoxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4-methyl-6-morpholin-4-yl-2-oxo-1-propyl-1,2-dihydropyridine-3-carbonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 5-{[3-(4-methoxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4-methyl-6-morpholin-4-yl-2-oxo-1-propyl-1,2-dihydropyridine-3-carbonitrile(7064-02-0)
• EPA Substance Registry System: 5-{[3-(4-methoxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4-methyl-6-morpholin-4-yl-2-oxo-1-propyl-1,2-dihydropyridine-3-carbonitrile(7064-02-0)

Safety Data

• Hazardous Substances Data: 7064-02-0(Hazardous Substances Data)

Upstream product

• 100-42-5 styrene 
• 4937-87-5 N-hydroxy-2-oxo-2-phenylethanimidoyl chloride 
• 614-21-1 2-nitroacetophenone 
• 532-54-7 oxo-phenyl-acetaldehyde oxime 
• 92241-09-3 C₉H₉NO₃ 
• 3282-32-4 2-diazo-acetophenone 
• 38102-08-8 methyl 5-phenyl-4,5-dihydroisoxazole-3-carboxylate 
• 100-58-3 phenylmagnesium bromide 

Downstream Products

• 3672-49-9 phenyl(5-phenyl-1,2-oxazol-3-yl)methanone 
• 92241-23-1 (R)-1-Phenyl-1-((R)-5-phenyl-4,5-dihydro-isoxazol-3-yl)-ethanol 
• 92241-24-2 (R)-1-Phenyl-1-((S)-5-phenyl-4,5-dihydro-isoxazol-3-yl)-ethanol 
• 92241-23-1 1-Phenyl-1-(5-phenyl-4,5-dihydro-isoxazol-3-yl)-ethanol 
• 15231-17-1 N-benzoylbenzoylacetamide 
• 31879-47-7 2-benzoyl-3-oxo-3-phenylpropanenitrile 
• 31970-74-8 phenyl(5-phenyloxazol-2-yl)methanone 
• 92241-26-4 2,4-Diphenyl-3,5-dihydro-2H-isoxazolo[2,3-a]pyridine-6,6,7,7-tetracarbonitrile 
• 92241-25-3 4,5-Dihydro-3-(1-phenylethenyl)-5-phenylisoxazole 

Relevant articles and documents

Synthesis of Isoxazolines and Oxazines by Electrochemical Intermolecular [2 + 1 + n] Annulation: Diazo Compounds Act as Radical Acceptors

Reported herein is an unprecedented synthesis of isoxazolines and oxazines through electrochemical intermolecular annulation of alkenes with tert-butyl nitrite, in which diazo compounds serve as radical acceptors. Notably, [2 + 1 + 2] and [2 + 1 + 3] annulations occur when styrenes and allylbenzenes are used as substrates, respectively. The latter reaction undergoes group migration to form more stable radical, manifesting radical route instead of conventional 1,3-dipolar cycloaddition occurs. Moreover, scale-up experiments suggest the potential application value of these transformations in industry.

Nitration-Peroxidation of Alkenes: A Selective Approach to β-Peroxyl Nitroalkanes

Nitration-peroxidation of alkenes for the synthesis of β-peroxyl nitroalkanes has been developed by using tert-butyl nitrite and tert-butyl hydroperoxide. The method presents a new and selective difunctionalization of alkenes to introduce a nitro group and a peroxyl group across the double bonds of alkenes under mild conditions. A radical reaction pathway is proposed by experimental and theoretical studies.

Tert-Butyl Nitrite-Mediated Domino Synthesis of Isoxazolines and Isoxazoles from Terminal Aryl Alkenes and Alkynes

A sequential construction of C-C, C-O, C = N, and C = O bonds from alkenes leading to the direct synthesis of isoxazolines in the presence of tert-butyl nitrite, quinoline, and the Sc(OTf)3 catalyst in DCE at 80 °C has been accomplished. An unprecedented three consecutive C-H functionalizations of two styrenes are involved in this isoxazoline synthesis. In this radical-mediated reaction, one-half of the aryl alkene is converted into an intermediate 2-nitroketone, which serves as a 1,3-dipolarophile and undergoes cycloaddition with the other half of the unreacted aromatic terminal alkene. The use of an alkyne in lieu of an alkene leads to the formation of isoxazole under identical reaction conditions.

Effect of aqueous polyethylene glycol on 1,3-dipolar cycloaddition of benzoylnitromethane/ethyl 2-nitroacetate with dipolarophiles: Green synthesis of isoxazoles and isoxazolines

A 1:1 mixture of water-polyethylene glycol (PEG) facilitated the 1,3-dipolar cycloaddition of benzoylnitromethane/ethyl 2-nitroacetate with terminal alkynes or alkenes leading to isoxazoles or isoxazolines under green conditions. The methodology is free f

Reactivity of the ester group attached isoxazoline, benzisoxazole, and isoxazole: A facial preparation of 3-acyl-substituted these heterocycles

A facile preparation of 3-acyl-substituted isoxazolines, benzisoxazoles, and isoxazoles from the corresponding 3-carboxylate esters is described. The process, involving reaction of the ester derivative of 3-carboxylic acid substituted heterocycles with Gr

Application of silica gel-supported polyphosphoric acid (PPA/SiO 2) as a reusable solid acid catalyst to the synthesis of 3-benzoylisoxazoles and isoxazolines

3-Benzoylisoxazoles were synthesized by the reaction of alkynes and benzoylnitromethane using silica gel-supported polyphosphoric acid (PPA/SiO 2). This reaction provides a convenient, efficient, and reusable synthetic method of isoxazole deriv

Synthesis of 4,5-dihydroisoxazoles by condensation of primary nitro compounds with alkenes by using a copper/base catalytic system

A new procedure for the synthesis of 4.5-dihydroisoxazoles by condensation of primary nitro compounds with olefins by using a copper/base catalytic system is described. The catalytic effect of copper(II) salts is evidenced by comparison of the reaction ra

1,2,5-Oxadiazole (Furazan) derivatives from benzoylnitromethane and dipolarophiles in the presence of DABCO: Structure and intermediates

Furazan (1,2,5-oxadiazole) derivatives are obtained along with isoxazolines from the reaction of benzoylnitromethane with dipolarophiles in the presence of DABCO. Furazans are shown to derive from the intermediate dibenzoylfuroxan (3,4-dibenzoyl-1,2,5-oxa

1,4-Diazabicyclo[2.2.2]octane (DABCO) as an efficient reagent for the synthesis of isoxazole derivatives from primary nitro compounds and dipolarophiles: The role of the base

The dehydration of primary nitro compounds can be performed by bases in the presence of dipolarophiles. The reactivity of several tertiary amines or azaheteroaromatic compounds containing one or two basic centres is shown to be related to the ability of t

Isoxazoline derivatives from activated primary nitrocompounds and tertiary diamines

Activated nitrocompounds, in the presence of dipolarophiles and a tertiary diamine (e.g., DABCO), undergo dehydration to afford directly isoxazoline derivatives, formal cycloadducts of nitrile oxides; this mild procedure is very efficient for the synthesi