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(2-(Trifluoromethoxy)phenyl)acrylic acid, also known as TFMPAA, is a chemical compound characterized by its molecular formula C9H7F3O3. It is a white solid with a molecular weight of 214.15 g/mol. TFMPAA is recognized for its utility in the synthesis of a range of pharmaceutical compounds, agrochemicals, and organic materials, making it a valuable building block for the preparation of fluorinated organic molecules. Its versatility extends to its use as a reagent in organic synthesis and as a precursor in the production of specialty polymers and advanced materials, underscoring its critical role in the development and manufacturing of various significant chemicals and materials.

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  • 399580-48-4 Structure
  • Basic information

    1. Product Name: (2-(trifluoroMethoxy)phenyl)acrylic acid
    2. Synonyms: (2-(trifluoroMethoxy)phenyl)acrylic acid;2-[2-(trifluoroMethoxy)phenyl]prop-2-enoic acid;(E)-3-(2-(TRIFLUOROMETHOXY)PHENYL)ACRYLIC ACID
    3. CAS NO:399580-48-4
    4. Molecular Formula: C10H7F3O3
    5. Molecular Weight: 232
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 399580-48-4.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 281.305 °C at 760 mmHg
    3. Flash Point: 123.929 °C
    4. Appearance: /
    5. Density: 1.403 g/cm3
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. CAS DataBase Reference: (2-(trifluoroMethoxy)phenyl)acrylic acid(CAS DataBase Reference)
    10. NIST Chemistry Reference: (2-(trifluoroMethoxy)phenyl)acrylic acid(399580-48-4)
    11. EPA Substance Registry System: (2-(trifluoroMethoxy)phenyl)acrylic acid(399580-48-4)
  • 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: 399580-48-4(Hazardous Substances Data)

399580-48-4 Usage

Uses

Used in Pharmaceutical Synthesis:
TFMPAA is used as a key intermediate in the synthesis of pharmaceutical compounds, leveraging its unique chemical properties to enhance the development of new drugs with improved efficacy and selectivity.
Used in Agrochemical Production:
In the agrochemical industry, TFMPAA serves as a crucial component in the creation of pesticides and other crop protection agents, contributing to the advancement of agricultural productivity and sustainability.
Used in Organic Synthesis:
As a reagent in organic synthesis, TFMPAA is instrumental in facilitating various chemical reactions, enabling the production of a wide array of organic molecules with diverse applications.
Used in Specialty Polymers and Advanced Materials:
TFMPAA is utilized as a precursor in the production of specialty polymers and other advanced materials, where its fluorinated nature imparts unique properties such as enhanced stability and reactivity, broadening the scope of material applications in various industries.

Check Digit Verification of cas no

The CAS Registry Mumber 399580-48-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 3,9,9,5,8 and 0 respectively; the second part has 2 digits, 4 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 399580-48:
(8*3)+(7*9)+(6*9)+(5*5)+(4*8)+(3*0)+(2*4)+(1*8)=214
214 % 10 = 4
So 399580-48-4 is a valid CAS Registry Number.

399580-48-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-[2-(trifluoromethoxy)phenyl]prop-2-enoic acid

1.2 Other means of identification

Product number -
Other names 3-(2-(Trifluoromethoxy)phenyl)acrylic acid

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:399580-48-4 SDS

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399580-48-4Relevant articles and documents

Design, Synthesis, and Anticancer Activity of Cinnamoylated Barbituric Acid Derivatives

Liu, Yue,Li, Peng-Xiao,Mu, Wen-Wen,Sun, Ya-Lei,Liu, Ren-Min,Yang, Jie,Liu, Guo-Yun

, (2022/01/13)

This work deals with the design and synthesis of 18 barbituric acid derivatives bearing 1,3-dimethylbarbituric acid and cinnamic acid scaffolds to find potent anticancer agents. The target molecules were obtained through Knoevenagel condensation and acylation reaction. The cytotoxicity was assessed by the MTT assay. Flowcytometry was performed to determine the cell cycle arrest, apoptosis, ROS levels and the loss of MMP. The ratios of GSH/GSSG and the MDA levels were determined by using UV spectrophotometry. The results revealed that introducing substitutions (CF3, OCF3, F) on the meta- of the benzyl ring of barbituric acid derivatives led to a considerable increase in the antiproliferative activities compared with that of corresponding ortho- and para-substituted barbituric acid derivatives. Mechanism investigation implied that the 1c could increase the ROS and MDA level, decrease the ratio of GSH/GSSG and MMP, and lead to cell cycle arrest. Further research is needed for structural optimization to enhance hydrophilicity, thereby improve the biological activity of these compounds.

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