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2-Buten-1-one, 3-(methylamino)-1-phenyl, (2Z)-, also known as Z-3-(methylamino)-1-phenyl-2-buten-1-one, is an organic compound characterized by its molecular formula C11H13NO. 2-Buten-1-one, 3-(methylamino)-1-phenyl-, (2Z)- features a 2-buten-1-one backbone with a phenyl group attached to the 1-position and a methylamino group at the 3-position. The (2Z)- configuration indicates that the double bond between the 2nd and 3rd carbon atoms has a Z (cis) configuration, which affects the spatial arrangement of the molecule. This specific geometric isomer is important in organic chemistry and pharmaceuticals, as the Z configuration can influence the compound's reactivity and biological activity.

7721-58-6

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7721-58-6 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 7721-58-6 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 7,7,2 and 1 respectively; the second part has 2 digits, 5 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 7721-58:
(6*7)+(5*7)+(4*2)+(3*1)+(2*5)+(1*8)=106
106 % 10 = 6
So 7721-58-6 is a valid CAS Registry Number.

7721-58-6SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-(methylamino)-1-phenylbut-2-en-1-one

1.2 Other means of identification

Product number -
Other names 3-methylamino-1-phenylbut-2-ene-1-one

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:7721-58-6 SDS

7721-58-6Relevant academic research and scientific papers

An efficient method for the synthesis of 2-pyridones: Via C-H bond functionalization

Zhou, Shuguang,Liu, Duan-Yang,Wang, Suo,Tian, Jie-Sheng,Loh, Teck-Peng

supporting information, p. 15020 - 15023 (2020/12/23)

A simple and practical method to access N-substituted 2-pyridones via a formal [3+3] annulation of enaminones with acrylates based on RhIII-catalyzed C-H functionalization was developed. Control and deuterated experiments led to a plausible mechanism involving C-H bond cross-coupling and aminolysis cyclization. This strategy provides a short synthesis of structural motifs of N-substituted 2-pyridones.

Structure and tautomerism of azo coupling products from N-alkylenaminones derived from acetylacetone and benzoylacetone in solid phase and in solution

Simunek, Petr,Svobodova, Marketa,Bertolasi, Valerio,Pretto, Loretta,Lycka, Antonin,Machacek, Vladimir

, p. 429 - 438 (2008/02/10)

A series of azo coupling products have been prepared by reaction of substituted benzenediazonium tetrafluoroborates with N-alkyl 4-aminopent-3-en-2-ones or 3-amino-1-phenylbut-2-en-1-ones. The structure and tautomerism of the reaction products were studied by means of single-crystal X-ray study and by NMR spectroscopy in deuteriochloroform solution. The azo coupling products obtained from 4-methylaminopent-3-en-2-ones (3a-i) exist in CDCl3 solution as E/Z isomer mixtures with the Z isomer strongly predominating. The major isomer is a mixture of enamino-azo and imino-hydrazo tautomers with the former predominating. The proportion of the azo form depends on substitution of the benzene ring of the diazonium salt and decreases in the order of MeO > Me > Br > NO2. The position of tautomeric equilibrium is practically unaffected by switching from 4-methylaminopent-3-en- 2-ones to 3-methylamino-1-phenylbut-2-en-1-ones. In the solid phase, the azo form always predominates; substitution of diazonium salt and at N3 nitrogen does not significantly affect the position of the tautomeric equilibrium. The azo coupling products always exist in the form of a single Z isomer. All determined structures, in the solid state, consist of a mixture of the two tautomeric forms, amino-diazenyl and imino-hydrazone, in ratios ranging from 82/18 to 91/9%. The weighed superimposition of both the hydrogen-bonded N1=N2-C1=C2-N3H/ HN1-N2=C1-C2=N3 heterodienic fragments, however, do not allow to clarify the effects of the para-substituents at the N1-phenyl ring both on the N1...N3 hydrogen-bond distances and on the bond lengths in the heterodienic systems within the series 3a-c,f and 4a-c,e,f. The Royal Society of Chemistry and the Centre National de la Recherche Scientifique.

Synthesis, NMR and X-ray characterisation of 6-substituted 4-amino-5-aryldiazenyl-1-arylpyridazinium salts

?im?nek, Petr,Pe?ková, Markéta,Bertolasi, Valerio,Machá?ek, Vladimír,Ly?ka, Antonín

, p. 8130 - 8137 (2007/10/03)

A new simple method has been used to prepare 6-substituted 4-(subst. amino)-5-aryldiazenyl-1-arylpyridazinium salts from N-methyl- or N-aryl-3-amino-1-phenylbut-2-en-1-ones and 4-aminopent-3-en-2-ones and substituted benzenediazonium tetrafluoroborates or hexafluorophosphates. The structure of selected derivatives was studied by means of 15N NMR spectra and X-ray.

Facile one-pot syntheses of amidines and enamines from oximes via Beckmann rearrangement using trifluoromethanesulfonic anhydride

Takuwa, Tomofumi,Minowa, Tomofumi,Onishi, Jim Yoshitaka,Mukaiyama, Teruaki

, p. 1717 - 1725 (2007/10/03)

Iminocarbocation intermediates were in situ-generated by treating various oximes with trifluoromethanesulfonic anhydride (Tf2O) in the presence of triethylamine in toluene and nucleophilic trapping with amines or sodium enolates under mild conditions afforded the corresponding amidines and enamines. Some of the thus-obtained enamines were converted to 2-substituted 4-oxo-3-quinolinecarboxylic acid derivatives by subsequent intramolecular Friedel-Crafts acylation.

Facile one-pot syntheses of amidines and enamines from oximes via Beckmann rearrangement using trifluoromethansulfonic anhydride

Takuwa, Tomofumi,Minowa, Tomofumi,Onishi, Jim Yoshitaka,Mukaiyama, Teruaki

, p. 322 - 323 (2007/10/03)

Facile one-pot syntheses of amidines and enamines were achieved by trapping carbocation intermediates that were formed by Beckmann rearrangement of oximes with amines and carbon nucleophiles, respectively, under mild conditions.

A new and a convenient route to enaminones and pyrazoles

Stefane, Bogdan,Polanc, Slovenko

, p. 28 - 32 (2007/10/03)

A new method has been developed for the regioselective preparation of enaminones and pyrazoles from 1,3-diketonatoboron difluorides. The reactions proceed smoothly under mild reaction conditions, producing enaminones and pyrazoles in high yields.

The use of K-10/ultrasound in the selective synthesis of unsymmetrical β-enamino ketones

Valduga, Claudete J.,Squizani, Adriana,Braibante, Hugo S.,Braibante, Mara E.F.

, p. 1019 - 1022 (2007/10/03)

p-Phenyl substituted β-enamino ketones 2a-p and cyclic β-enamino ketones 4, 6a-f have been prepared by a selective method by dispersing 1,3- diketones and amines on montmorillonite K-10 under sonication.

RING CLEAVAGE OF N-ALKYLISOXAZOLIUM SALTS BY LITHIUM DIALKYLCUPRATES: SYNTHESIS OF β-ENAMINOKETONES

Alberola, A.,Gonzalez, A. M.,Laguna, M. A.,Pulido, F. J.

, p. 673 - 680 (2007/10/02)

N-Alkylisoxazolium salts undergo ring cleavage when treated with lithium dialkylcuprates to give β-enaminoketones in high yields.

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