Cas no 878745-51-8 (Methyl 2-(trifluoromethyl)pyrimidine-4-carboxylate)

Methyl 2-(trifluoromethyl)pyrimidine-4-carboxylate is a fluorinated pyrimidine derivative with significant utility in pharmaceutical and agrochemical synthesis. The trifluoromethyl group enhances metabolic stability and lipophilicity, making it valuable in the design of bioactive compounds. The ester functionality at the 4-position allows for further derivatization, enabling versatile applications in medicinal chemistry. Its pyrimidine core serves as a key scaffold in nucleoside analogs and enzyme inhibitors. The compound’s high purity and well-defined structure ensure reproducibility in research and industrial processes. Its stability under standard conditions facilitates handling and storage, while its reactivity supports efficient downstream modifications.
Methyl 2-(trifluoromethyl)pyrimidine-4-carboxylate structure
878745-51-8 structure
Product Name:Methyl 2-(trifluoromethyl)pyrimidine-4-carboxylate
CAS No:878745-51-8
MF:C7H5F3N2O2
MW:206.122011899948
MDL:MFCD05662690
CID:720698
PubChem ID:17750127
Update Time:2025-06-07

Methyl 2-(trifluoromethyl)pyrimidine-4-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 2-(trifluoromethyl)pyrimidine-4-carboxylate
    • 4-(dimethoxymethyl)-2-(trifluoromethyl)pyrimidine
    • 2-(trifluoromethyl)-4-Pyrimidinecarboxylic acid methyl ester
    • 4-Pyrimidinecarboxylicacid, 2-(trifluoromethyl)-, methyl ester
    • 2-Trifluoromethylpyrimidine-4-carboxylic acid methyl ester
    • BCP26514
    • AKOS015851486
    • Methyl-2-trifluoromethyl-4-pyrimidine carboxylate
    • METHYL 2-TRIFLUOROMETHYL-4-PYRIMIDINE CARBOXYLATE
    • DB-001044
    • 4-Pyrimidinecarboxylic acid, 2-(trifluoromethyl)-, methyl ester
    • SCHEMBL353759
    • 4-Pyrimidinecarboxylicacid,2-(trifluoromethyl)-,methyl ester
    • 2-(Trifluoromethyl)pyrimidine-4-carboxylic acid methyl ester
    • SB58974
    • PS-6901
    • DTXSID40590278
    • Methyl2-(trifluoromethyl)pyrimidine-4-carboxylate
    • MFCD05662690
    • 2-Trifluoromethyl-pyrimidine-4-carboxylic acid methyl ester
    • 878745-51-8
    • MDL： MFCD05662690
    • Inchi： 1S/C7H5F3N2O2/c1-14-5(13)4-2-3-11-6(12-4)7(8,9)10/h2-3H,1H3
    • InChI Key： VBFLWQBZJODKRL-UHFFFAOYSA-N
    • SMILES： O=C(C1C=CN=C(C(F)(F)F)N=1)OC

Computed Properties

  • Exact Mass: 206.03000
  • Monoisotopic Mass: 206.03031189g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 220
  • 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: 1.3
  • Topological Polar Surface Area: 52.1?2

Experimental Properties

  • PSA: 52.08000
  • LogP: 1.28200

Methyl 2-(trifluoromethyl)pyrimidine-4-carboxylate Security Information

  • Hazardous Material Identification： Xi

Methyl 2-(trifluoromethyl)pyrimidine-4-carboxylate 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%

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