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(Z)-methyl 2-(4-(2-(3,5-bis(trifluoromethyl)phenyl)ethynyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)-3-methoxyacrylate is a complex organic chemical compound characterized by a unique arrangement of functional groups and structural elements. It features a methyl ester group, a phenyl group, and a pyrazole ring, complemented by multiple trifluoromethyl groups. (Z)-methyl 2-(4-(2-(3,5-bis(trifluoromethyl)phenyl)ethynyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)-3-methoxyacrylate is notable for its potential applications in medicinal chemistry, particularly in the development of innovative drugs that target specific biological pathways or mechanisms. Additionally, it holds promise for research in organic synthesis and materials science due to its diverse array of functional groups and structural features, positioning it as a valuable building block for creating novel molecules with useful properties.

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  • METHYL 2-(4-((3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHYNYL)-1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-5-YL)-3-METHOXYACRYLATE

    Cas No: 331236-98-7

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  • Methyl 2-(4-((3,5-bis(trifluoromethyl)phenyl)ethynyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)-3-methoxyacrylate

    Cas No: 331236-98-7

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  • (Z)-methyl 2-(4-(2-(3,5-bis(trifluoromethyl)phenyl)ethynyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)-3-methoxyacrylate

    Cas No: 331236-98-7

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  • Methyl 2-(4-((3,5-bis(trifluoromethyl)phenyl)ethynyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)-3-methoxyacrylate

    Cas No: 331236-98-7

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  • 331236-98-7 Structure
  • Basic information

    1. Product Name: (Z)-methyl 2-(4-(2-(3,5-bis(trifluoromethyl)phenyl)ethynyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)-3-methoxyacrylate
    2. Synonyms: Methyl 2-(4-((3,5-bis(trifluoroMethyl)phenyl)ethynyl)-1-Methyl-3-(trifluoroMethyl)-1H-pyrazol-5-yl)-3-Methoxyacrylate;Methyl 2-(4-((3,5-bis(trifluoromethyl)phenyl)ethynyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-y;Methyl 2-(4-((3,5-bis(trifluoromethyl)phenyl)ethynyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-;(Z)-methyl 2-(4-(2-(3,5-bis(trifluoromethyl)phenyl)ethynyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)-3-methoxyacrylate
    3. CAS NO:331236-98-7
    4. Molecular Formula: C20H13F9N2O3
    5. Molecular Weight: 500
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 331236-98-7.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 497.4±45.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.38±0.1 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. PKA: -3.11±0.10(Predicted)
    10. CAS DataBase Reference: (Z)-methyl 2-(4-(2-(3,5-bis(trifluoromethyl)phenyl)ethynyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)-3-methoxyacrylate(CAS DataBase Reference)
    11. NIST Chemistry Reference: (Z)-methyl 2-(4-(2-(3,5-bis(trifluoromethyl)phenyl)ethynyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)-3-methoxyacrylate(331236-98-7)
    12. EPA Substance Registry System: (Z)-methyl 2-(4-(2-(3,5-bis(trifluoromethyl)phenyl)ethynyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)-3-methoxyacrylate(331236-98-7)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 331236-98-7(Hazardous Substances Data)

331236-98-7 Usage

Uses

Used in Medicinal Chemistry:
(Z)-methyl 2-(4-(2-(3,5-bis(trifluoromethyl)phenyl)ethynyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)-3-methoxyacrylate is used as a key intermediate in the synthesis of new pharmaceutical agents, leveraging its complex structure to modulate specific biological targets or pathways. Its unique combination of functional groups may contribute to the development of drugs with enhanced efficacy and selectivity.
Used in Organic Synthesis Research:
In the field of organic synthesis, (Z)-methyl 2-(4-(2-(3,5-bis(trifluoromethyl)phenyl)ethynyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)-3-methoxyacrylate serves as a versatile building block for the creation of novel organic molecules. Its structural features facilitate various synthetic transformations, enabling the exploration of new chemical reactions and the synthesis of compounds with tailored properties.
Used in Materials Science:
(Z)-methyl 2-(4-(2-(3,5-bis(trifluoromethyl)phenyl)ethynyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)-3-methoxyacrylate is utilized in materials science for the development of new materials with specific properties. Its diverse functional groups and structural elements can be exploited to engineer materials with applications in areas such as electronics, coatings, or advanced materials for various industries.
Used in Pharmaceutical Drug Development:
In the pharmaceutical industry, (Z)-methyl 2-(4-(2-(3,5-bis(trifluoromethyl)phenyl)ethynyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)-3-methoxyacrylate is used as a precursor in the design and synthesis of new drug candidates. Its unique structural features may offer advantages in drug discovery, such as improved pharmacokinetics, enhanced potency, or reduced side effects.
Used in Academic Research:
(Z)-methyl 2-(4-(2-(3,5-bis(trifluoromethyl)phenyl)ethynyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)-3-methoxyacrylate is employed in academic research settings to explore its chemical properties, reactivity, and potential applications in various fields. Researchers may investigate its use in the synthesis of complex organic molecules, its interactions with biological systems, or its incorporation into new materials with unique properties.

Check Digit Verification of cas no

The CAS Registry Mumber 331236-98-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 3,3,1,2,3 and 6 respectively; the second part has 2 digits, 9 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 331236-98:
(8*3)+(7*3)+(6*1)+(5*2)+(4*3)+(3*6)+(2*9)+(1*8)=117
117 % 10 = 7
So 331236-98-7 is a valid CAS Registry Number.

331236-98-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl 2-[4-[2-[3,5-bis(trifluoromethyl)phenyl]ethynyl]-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-3-methoxyprop-2-enoate

1.2 Other means of identification

Product number -
Other names Methyl 2-(4-((3,5-bis(trifluoromethyl)phenyl)ethynyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)-3-methoxyacrylate

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:331236-98-7 SDS

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