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3-METHYL-1-PHENYLPYRAZOLE is an organic compound that is characterized by its white crystalline appearance. It is a heterocyclic compound with a pyrazole ring fused to a phenyl group, and it has a methyl group attached to the third position of the pyrazole ring. 3-METHYL-1-PHENYLPYRAZOLE is known for its unique chemical properties and potential applications in various fields.

1128-54-7

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1128-54-7 Usage

Uses

Used in Chemical Synthesis:
3-METHYL-1-PHENYLPYRAZOLE is used as a precursor in the production of 3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde. This synthesis is carried out at a temperature range of 90-100°C using the reagent phosphorus oxychloride. The resulting aldehyde compound can be further utilized in the synthesis of various pharmaceuticals, agrochemicals, and other organic compounds.
Used in Pharmaceutical Industry:
3-METHYL-1-PHENYLPYRAZOLE and its derivatives are used as intermediates in the synthesis of various pharmaceutical compounds. These compounds have potential applications in the development of drugs targeting different therapeutic areas, such as anti-inflammatory, analgesic, and antipyretic agents.
Used in Agrochemical Industry:
In the agrochemical industry, 3-METHYL-1-PHENYLPYRAZOLE and its derivatives can be used as intermediates in the synthesis of various agrochemicals, such as pesticides and herbicides. These compounds can help in the development of more effective and environmentally friendly solutions for crop protection.
Used in Research and Development:
3-METHYL-1-PHENYLPYRAZOLE is also used in research and development laboratories for the study of its chemical properties and potential applications. Researchers can use 3-METHYL-1-PHENYLPYRAZOLE to explore new synthetic routes, develop novel compounds, and investigate its potential use in various fields, such as materials science, catalysis, and nanotechnology.

Check Digit Verification of cas no

The CAS Registry Mumber 1128-54-7 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,1,2 and 8 respectively; the second part has 2 digits, 5 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 1128-54:
(6*1)+(5*1)+(4*2)+(3*8)+(2*5)+(1*4)=57
57 % 10 = 7
So 1128-54-7 is a valid CAS Registry Number.
InChI:InChI=1/C10H10N2/c1-9-7-8-12(11-9)10-5-3-2-4-6-10/h2-8H,1H3

1128-54-7 Well-known Company Product Price

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  • Alfa Aesar

  • (A14841)  3-Methyl-1-phenyl-1H-pyrazole, 98%   

  • 1128-54-7

  • 1g

  • 254.0CNY

  • Detail
  • Alfa Aesar

  • (A14841)  3-Methyl-1-phenyl-1H-pyrazole, 98%   

  • 1128-54-7

  • 10g

  • 2084.0CNY

  • Detail
  • Alfa Aesar

  • (A14841)  3-Methyl-1-phenyl-1H-pyrazole, 98%   

  • 1128-54-7

  • 25g

  • 4322.0CNY

  • Detail

1128-54-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-Methyl-1-phenyl-1H-pyrazole

1.2 Other means of identification

Product number -
Other names 3-METHYL-1-PHENYLPYRAZOLE

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:1128-54-7 SDS

1128-54-7Relevant academic research and scientific papers

TBHP/Cu(OAc)2 mediated oxidation of pyrazolines: A convenient method for the preparation of pyrazoles

Kolla, Sai Teja,Somanaboina, Ramya,Bhimapaka, China Raju

supporting information, p. 1425 - 1432 (2021/02/27)

An efficient and simple oxidative protocol has been developed for the preparation of pyrazoles from pyrazolines mediated by TBHP/Cu(OAc)2 at room temperature. The present protocol has been successfully applied for the preparation of various pyrazole compounds from heterocyclic pyrazolines.

Ruthenium-catalyzed formation of pyrazoles or 3-hydroxynitriles from propargyl alcohols and hydrazines

Kaufmann, Julia,J?ckel, Elisabeth,Haak, Edgar

supporting information, p. 91 - 101 (2019/07/09)

Functionalized pyrazoles are generated from secondary propragyl alcohols and hydrazines in a ruthenium-catalyzed cascade process, consisting of redox isomerization, Michael addition, cyclocondensation and dehydrogenation steps. The same bifunctional catalyst mediates the conversion of tertiary propargyl alcohols with hydrazine to 3-hydroxynitriles via anti-Markovnikov hydroamination followed by elimination of ammonia.

A 2, 4 - dimethyl thiazole-based acrylonitrile compounds and use thereof (by machine translation)

-

Paragraph 0136; 0137; 0138; 0139, (2017/08/02)

The invention discloses a novel structure of the 2, 4 - dimethyl thiazole-based acrylonitrile compound or a stereoisomer thereof, a compound structure such as shown in formula I: In the formula: C R is selected from1 - C6 Alkyl, C1 - C6 Haloalkyl, C3 - C8 Cycloalkyl or C1 - C6 Alkoxy; Q is selected from the following group: R1 Is selected from H, halogen, methyl or trifluoromethyl; R2 Is selected from halogen; R3 , R4 Are independently selected from H, halogen, methyl or trifluoromethyl; or a stereoisomer thereof. The formula I compounds have excellent insecticidal, acaricidal activity, can be used for the pest, mites. (by machine translation)

A 2, 4 - dimethyl [...] acrylonitrile compounds and use thereof

-

Paragraph 0138; 0139; 0140, (2017/12/27)

The invention discloses a 2,4-dimethylthiazole acrylonitrile compound or a stereoisomer thereof with a novel structure. The structure of the compound is shown in the general formal (I) in the specification, wherein R is selected from alkyl of C1-C6, halogenated alkyl of C1-C6, naphthene of C3-C8 or alkoxy of C1-C6; Q is selected from the group as shown in the specification; R1 is selected from H, halogen, methyl or trifluoromethyl; R2 is selected from H, halogen, methyl or trifluoromethyl; or the stereoisomer of the compound is selected. The compound in the general formula I has excellent insect and mite killing activity, and can be used for preventing and controlling insects and mites.

Palladium-Catalyzed Deformylation Reactions with Detailed Experimental and in Silico Mechanistic Studies

Modak, Atanu,Rana, Sujoy,Phukan, Ashwini K.,Maiti, Debabrata

supporting information, p. 4168 - 4174 (2017/08/07)

A facile, efficient, and general deformylation reaction with a wide-ranging functional group compatibility has been developed with palladium acetate as a precatalyst under exogenous ligand-free conditions. The mechanistic details of the palladium-catalyzed deformylation reaction have been outlined on the basis of a combination of experimental and computational studies. The heterogeneous pathway is predominant for the deformylation, and homogeneous catalysis occurs to a lesser extent. This ligand-free catalytic cycle is proposed to undergo oxidative addition, migratory extrusion, and reductive elimination as the key steps. Kinetic studies reveal a first-order rate dependency with respect to the aldehyde. Furthermore, kinetic isotope effects, competition experiments, and Hammett studies suggest that the migratory extrusion step is the rate-determining step. For the homogeneous pathway, the experimental findings are also supported by DFT studies.

2- [...] azoly acrylonitrile compound and use thereof

-

Paragraph 0130-0132, (2016/10/08)

The invention discloses a 2-chloro thiazolyl acrylonitrile compound or a stereisomer thereof with a novel structure. The structure of the compound is shown as the general formula I in the specification, wherein R is one of alkyl of C1-C6, halogenated alkyl of C1-C6, cycloalkyl of C3-C8 and alkoxy of C1-C6; Q is selected from the group shown as the specification; R1 is one of H, halogen, methyl and trifluoromethyl; R2 is one of H and halogen. The compound in the general formula I has excellent insect and mite killing activity, and can be used for preventing and controlling insects and mites.

Phenyl pyrazolyl acrylonitrile compound and use thereof

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Paragraph 0071-0073, (2016/10/10)

The present invention discloses a novel structure phenyl pyrazolyl acrylonitrile compound or a stereoisomer thereof, wherein the structure of the compound is represented by a general formula I, R1 is selected from C1-C6 alkyl, halogenated C1-C6 alkyl, C3-C8 cycloalkyl, C1-C6 alkoxy and phenyl, hydrogen on the benzene ring can be further substituted by the following substituting groups such as halogen, cyano, nitro, methyl and halomethyl, and R2 is selected from chlorine, trifluoromethyl and nitro. The compound represented by the general formula I has excellent insect disinfestation and mite killing activity, and can be used for prevention and control of pests and mites.

Thiazole base pyrazolyl acrylonitrile compounds and use thereof

-

Paragraph 0061; 0062; 0063, (2017/01/17)

The invention discloses a thiazolyl pyrazolyl acrylonitrile compound or a stereisomer thereof with a novel structure. The structure of the compound is shown as the general formal in the specification, wherein R is one of alkyl of C1-C6, halogenated alkyl of C1-C6, cycloalkyl of C3-C8, alkoxy of C1-C6 and phenyl; hydrogen on a benzene ring can be further substituted by the following groups: halogen, cyano groups, nitro, methyl or halogenated methyl; X is one of chlorine, bromine or iodine. The compound in the general formula I has excellent insect and mite killing activity, and can be used for preventing and controlling insects and mites.

Pyrazolyl acrylonitrile compound and use thereof

-

Paragraph 0123; 0124; 0125, (2016/10/08)

The invention discloses a pyrazolyl acrylonitrile compound or a stereisomer thereof with a novel structure. The structure of the compound is shown as the general formula I in the specification, wherein R is one of alkyl of C1-C6, halogenated alkyl of C1-C6, cycloalkyl of C3-C8, alkoxy of C1-C6 and phenyl; hydrogen on a benzene ring can be further substituted by the following groups: halogen, cyan, nitro, methyl or halogenated methyl; R2 is one of hydrogen, halogen, cyan and methyl; R3 is alkyl of C1-C6; R4 and R5 are respectively one of hydrogen, methyl, halogen, cyan and nitro. The compound in the general formula I has excellent insect and mite killing activity, and can be used for preventing and controlling insects and mites.

Copper-catalyzed C–N cross-coupling of arylboronic acids with N-acylpyrazoles

Zhang, Jin,Jia, Run-Ping,Wang, Dong-Hui

supporting information, p. 3604 - 3607 (2016/07/21)

A copper-catalyzed C–N bond forming reaction of arylboronic acids and N-acylpyrazoles was developed. This procedure used N-acetyl protected pyrazoles as starting material instead of free pyrazoles (NH). The reaction worked under neutral conditions and did not require any base or ligand. The reaction showed good functional group tolerance.

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