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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

5-Pyrimidinecarboxylicacid, 4-cyclopropyl-2-(trifluoromethyl)-

OC(=O)c1cnc(nc1C1CC1)C(F)(F)F Request for Quotation
Chemical Name: 5-Pyrimidinecarboxylicacid, 4-cyclopropyl-2-(trifluoromethyl)-
CAS Number: 914201-19-7
Product Number: AG006MRH(AGN-PC-03VBF6)
Synonyms:
MDL No:
Molecular Formula: C9H7F3N2O2
Molecular Weight: 232.1593

Identification/Properties

Computed Properties
Molecular Weight:
232.162g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
2
Exact Mass:
232.046g/mol
Monoisotopic Mass:
232.046g/mol
Topological Polar Surface Area:
63.1A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
291
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H317
Precautionary Statements:
P280
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


4-Cyclopropyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid, also known as $name$, is a versatile intermediate commonly used in chemical synthesis processes. This compound plays a crucial role in the pharmaceutical and agrochemical industries due to its unique structure and reactive properties. In chemical synthesis, 4-Cyclopropyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid serves as a key building block for the preparation of various pharmaceutical compounds and crop protection agents. Its cyclopropyl and trifluoromethyl groups contribute to the molecule's stability and enhance its reactivity in diverse synthetic reactions. Specifically, this compound can be utilized in the synthesis of novel biologically active molecules, such as antiviral drugs, herbicides, and insecticides. Its presence in the molecular structure imparts desirable properties to the final products, enhancing their efficacy and selectivity. Moreover, 4-Cyclopropyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid enables chemists to introduce specific functionalities into target molecules, allowing for the creation of tailored compounds with improved pharmacological or agronomic properties. Its versatility and compatibility with various synthetic methodologies make it a valuable asset in the field of chemical synthesis.