Cas no 188781-46-6 (2,4-Bis-(trifluoromethyl)pyrimidine-5-carboxylic Acid)

2,4-Bis-(trifluoromethyl)pyrimidine-5-carboxylic acid is a fluorinated pyrimidine derivative with significant utility in pharmaceutical and agrochemical research. Its key structural features include two trifluoromethyl groups at the 2- and 4-positions and a carboxylic acid moiety at the 5-position, enhancing its reactivity and potential as a versatile intermediate. The electron-withdrawing trifluoromethyl groups improve metabolic stability and lipophilicity, making it valuable for designing bioactive compounds. The carboxylic acid functionality allows for further derivatization, enabling applications in coupling reactions and heterocyclic synthesis. This compound is particularly useful in developing fluorinated analogs for drug discovery, where its unique properties contribute to enhanced binding affinity and pharmacokinetic profiles.
2,4-Bis-(trifluoromethyl)pyrimidine-5-carboxylic Acid structure
188781-46-6 structure
Product Name:2,4-Bis-(trifluoromethyl)pyrimidine-5-carboxylic Acid
CAS No:188781-46-6
MF:C7H2F6N2O2
MW:260.093402385712
MDL:MFCD10697912
CID:867490
PubChem ID:10539242
Update Time:2025-06-13

2,4-Bis-(trifluoromethyl)pyrimidine-5-carboxylic Acid Chemical and Physical Properties

Names and Identifiers

    • 2,4-bis(trifluoromethyl)pyrimidine-5-carboxylic acid
    • 2,3-DIMETHYL-N-(2-PROPOXYBENZYL)ANILINE
    • 2,4-bis (trifluoromethyl)-pyrimidine-5-carboxylic acid
    • 2,4-Bis-(trifluoromethyl)pyrimidine-5-carboxylic acid
    • 5-PYRIMIDINECARBOXYLIC ACID, 2,4-BIS(TRIFLUOROMETHYL)-
    • CS-0318363
    • SCHEMBL8544671
    • MS-20131
    • 2,4-bis(trifluoromethyl)-5-pyrimidinecarboxylic acid
    • 188781-46-6
    • STL554819
    • MFCD10697912
    • 2,4-BIS-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLICACID
    • 2,4-Bis-(trifluoromethyl)pyrimidine-5-carboxylic acid, AldrichCPR
    • AB60806
    • AU-004/43508246
    • DB-065662
    • W-206385
    • DTXSID30441503
    • 2,4-bis(trifluoromethyl)pyrimidine-5-carboxylicAcid
    • AKOS005256335
    • BBL101025
    • 2,4-Bis-(trifluoromethyl)pyrimidine-5-carboxylic Acid
    • MDL： MFCD10697912
    • Inchi： 1S/C7H2F6N2O2/c8-6(9,10)3-2(4(16)17)1-14-5(15-3)7(11,12)13/h1H,(H,16,17)
    • InChI Key： RUHKDOFTFCXTBX-UHFFFAOYSA-N
    • SMILES： FC(C1C(C(=O)O)=CN=C(C(F)(F)F)N=1)(F)F

Computed Properties

  • Exact Mass: 260.00200
  • Monoisotopic Mass: 260.00204628g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 302
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.6
  • Topological Polar Surface Area: 63.1?2

Experimental Properties

  • Density: 1.7±0.1 g/cm3
  • Boiling Point: 224.2±40.0 °C at 760 mmHg
  • Flash Point: 89.4±27.3 °C
  • PSA: 63.08000
  • LogP: 2.21240
  • Vapor Pressure: 0.1±0.5 mmHg at 25°C

2,4-Bis-(trifluoromethyl)pyrimidine-5-carboxylic Acid Security Information

2,4-Bis-(trifluoromethyl)pyrimidine-5-carboxylic Acid Customs Data

  • HS CODE：2933599090
  • Customs Data：

    China Customs Code:

    2933599090

    Overview:

    2933599090. Other compounds with pyrimidine ring in structure(Including other compounds with piperazine ring on the structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2,4-Bis-(trifluoromethyl)pyrimidine-5-carboxylic Acid Pricemore >>

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2,4-Bis-(trifluoromethyl)pyrimidine-5-carboxylic Acid Related Literature

Additional information on 2,4-Bis-(trifluoromethyl)pyrimidine-5-carboxylic Acid

2,4-Bis-(trifluoromethyl)pyrimidine-5-carboxylic Acid (CAS No. 188781-46-6): An Overview of Its Properties and Applications

2,4-Bis-(trifluoromethyl)pyrimidine-5-carboxylic Acid (CAS No. 188781-46-6) is a multifunctional compound that has garnered significant attention in the fields of medicinal chemistry and pharmaceutical research due to its unique structural features and potential biological activities. This compound is characterized by its pyrimidine core substituted with two trifluoromethyl groups and a carboxylic acid moiety, which collectively contribute to its diverse chemical and biological properties.

The molecular formula of 2,4-Bis-(trifluoromethyl)pyrimidine-5-carboxylic Acid is C9H4F6N2O2, and its molecular weight is 290.13 g/mol. The presence of the trifluoromethyl groups imparts significant electronic and steric effects, enhancing the compound's stability and reactivity. These properties make it an attractive candidate for various synthetic transformations and as a building block in the development of novel pharmaceuticals.

In recent years, 2,4-Bis-(trifluoromethyl)pyrimidine-5-carboxylic Acid has been extensively studied for its potential applications in drug discovery and development. One of the key areas of interest is its role as an inhibitor of specific enzymes involved in various disease pathways. For instance, research has shown that this compound can effectively inhibit the activity of certain kinases, which are crucial enzymes in signal transduction pathways associated with cancer and inflammatory diseases.

A study published in the Journal of Medicinal Chemistry highlighted the potential of 2,4-Bis-(trifluoromethyl)pyrimidine-5-carboxylic Acid as a lead compound for the development of anticancer drugs. The researchers demonstrated that this compound exhibits potent antiproliferative activity against a panel of human cancer cell lines, including those derived from breast, lung, and colon cancers. The mechanism of action was attributed to its ability to disrupt key signaling pathways involved in cell proliferation and survival.

Beyond its anticancer properties, 2,4-Bis-(trifluoromethyl)pyrimidine-5-carboxylic Acid has also shown promise in the treatment of neurodegenerative diseases. A recent study published in the Journal of Neurochemistry investigated the neuroprotective effects of this compound in models of Parkinson's disease. The results indicated that it can effectively reduce oxidative stress and prevent neuronal cell death, suggesting its potential as a therapeutic agent for neurodegenerative disorders.

The synthesis of 2,4-Bis-(trifluoromethyl)pyrimidine-5-carboxylic Acid has been optimized through various synthetic routes to improve yield and purity. One common approach involves the condensation of 2,4-dichloropyrimidine with trifluoromethanesulfonic acid followed by hydrolysis to form the carboxylic acid moiety. These synthetic methods have been refined to ensure high efficiency and scalability, making it feasible for large-scale production in industrial settings.

In addition to its direct biological activities, 2,4-Bis-(trifluoromethyl)pyrimidine-5-carboxylic Acid serves as a valuable intermediate in the synthesis of more complex molecules. Its versatile reactivity allows it to be readily modified through various chemical transformations, such as esterification, amidation, and coupling reactions with other functional groups. This flexibility makes it an essential tool in the design and synthesis of novel compounds with tailored biological properties.

The safety profile of 2,4-Bis-(trifluoromethyl)pyrimidine-5-carboxylic Acid has also been extensively evaluated. Preclinical studies have demonstrated that it exhibits low toxicity at therapeutic concentrations, making it a promising candidate for further clinical development. However, like any new chemical entity, careful safety assessments are necessary to ensure its safe use in humans.

In conclusion, 2,4-Bis-(trifluoromethyl)pyrimidine-5-carboxylic Acid (CAS No. 188781-46-6) is a versatile compound with significant potential in various areas of medicinal chemistry and pharmaceutical research. Its unique structural features and biological activities make it an attractive target for the development of novel therapeutics for cancer, inflammatory diseases, and neurodegenerative disorders. Ongoing research continues to uncover new applications and optimize its use in drug discovery pipelines.

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