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1-METHYL-3-(2-METHYLPROPYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER, with the molecular formula C14H20N2O2, is an ethyl ester derivative of 1-methyl-3-(2-methylpropyl)-1H-pyrazole-5-carboxylic acid. This chemical compound serves as a versatile building block in the synthesis of pharmaceuticals and agrochemicals, and is recognized for its potential antifungal and antibacterial properties. Additionally, it may contribute to the field of material science and act as a precursor in certain organic synthesis reactions.

133261-09-3

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133261-09-3 Usage

Uses

Used in Pharmaceutical and Agrochemical Industries:
1-METHYL-3-(2-METHYLPROPYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER is used as a chemical intermediate for the synthesis of various pharmaceuticals and agrochemicals. Its unique structure allows for the development of new compounds with potential therapeutic and pesticidal properties.
Used in Research and Development:
In the research and development sector, 1-METHYL-3-(2-METHYLPROPYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER is utilized as a building block for the preparation of novel compounds. Its reactivity and functional groups make it a valuable component in the design and synthesis of new molecules with potential applications in various fields.
Used in Material Science:
1-METHYL-3-(2-METHYLPROPYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER may have applications in the field of material science, where its properties can be exploited to develop new materials with specific characteristics. Its potential use in this area is still under exploration and may lead to advancements in material development.
Used as an Antifungal and Antibacterial Agent:
Due to its potential antifungal and antibacterial properties, 1-METHYL-3-(2-METHYLPROPYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER can be used in the development of new antimicrobial agents. Its ability to inhibit the growth of fungi and bacteria makes it a promising candidate for use in various applications, such as in medical treatments, agriculture, and food preservation.
Used as a Precursor in Organic Synthesis Reactions:
1-METHYL-3-(2-METHYLPROPYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER also serves as a precursor in certain organic synthesis reactions. Its functional groups and reactivity make it a useful starting material for the preparation of other complex organic compounds, expanding its utility in the field of organic chemistry.

Check Digit Verification of cas no

The CAS Registry Mumber 133261-09-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,3,3,2,6 and 1 respectively; the second part has 2 digits, 0 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 133261-09:
(8*1)+(7*3)+(6*3)+(5*2)+(4*6)+(3*1)+(2*0)+(1*9)=93
93 % 10 = 3
So 133261-09-3 is a valid CAS Registry Number.

133261-09-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name ethyl 2-methyl-5-(2-methylpropyl)pyrazole-3-carboxylate

1.2 Other means of identification

Product number -
Other names 1-Methyl-3-(2-methylpropyl)-1H-pyrazole-5-carboxylic acid ethyl ester

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:133261-09-3 SDS

133261-09-3Relevant academic research and scientific papers

Design, synthesis, antifungal activity and 3D-QSAR study of novel pyrazole carboxamide and niacinamide derivatives containing benzimidazole moiety

Si, Wei-Jie,Wang, Xiao-Bin,Chen, Min,Wang, Meng-Qi,Lu, Ai-Min,Yang, Chun-Long

, p. 3000 - 3010 (2019/02/17)

A series of novel pyrazole carboxamide and niacinamide derivatives containing a benzimidazole moiety were designed and synthesized as antifungal candidate agents. All target compounds were characterized by FTIR, 1H NMR, 13C NMR, HRMS and elemental analysis techniques. The structure of compound T1 was further confirmed by single crystal X-ray diffraction analysis. The antifungal activities of the target compounds were evaluated in vitro against four phytopathogenic fungi (namely Botrytis cinerea, Rhizoctonia solani, Fusarium graminearum and Alternaria solani) by the mycelium growth inhibition method. The bioassay results indicated that some of the compounds exhibited good antifungal activity against B. cinerea at 100 μg ML?1 compared to other three fungi. In order to better explore the structure-activity relationship (SAR), the EC50 values of target compounds against B. cinerea were measured and assessed. Subsequently, a 3D quantitative structure-activity relationship (3D-QSAR) study was carried out using the comparative molecular field analysis (CoMFA) technique based on the inhibitory activities of tested compounds against B. cinerea. Molecular modelling results revealed fine predictive ability with cross-validated q2 and non-cross-validated r2 values of 0.578 and 0.850, respectively.

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