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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)-

(2,5-dioxopyrrolidin-1-yl) 4-[3-(trifluoromethyl)diazirin-3-yl]benzoate

O=C(c1ccc(cc1)C1(N=N1)C(F)(F)F)ON1C(=O)CCC1=O Request for Quotation
Chemical Name: (2,5-dioxopyrrolidin-1-yl) 4-[3-(trifluoromethyl)diazirin-3-yl]benzoate
CAS Number: 87736-89-8
Product Number: AG00GWJM(AGN-PC-00KP9T)
Synonyms:
MDL No:
Molecular Formula: C13H8F3N3O4
Molecular Weight: 327.2155296

Identification/Properties

Computed Properties
Molecular Weight:
327.219g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
9
Rotatable Bond Count:
4
Exact Mass:
327.047g/mol
Monoisotopic Mass:
327.047g/mol
Topological Polar Surface Area:
88.4A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
560
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

NMR Spectrum

Other Analytical Data

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Chemical Structure


The Benzoic acid, 4-[3-(trifluoromethyl)-3H-diazirin-3-yl]-, 2,5-dioxo-1-pyrrolidinyl ester is commonly used as a powerful photoaffinity labeling reagent in chemical synthesis. This compound is highly reactive upon exposure to ultraviolet light, making it ideal for studying protein-protein interactions and receptor-ligand binding events. Its diazirine group undergoes a photolytic reaction upon UV irradiation, forming a reactive carbene intermediate that can covalently bind to nearby biomolecules. This unique property allows for precise mapping of binding sites and structural analysis of complex biological systems. Additionally, the pyrrolidinyl ester moiety enhances the stability and solubility of the compound, making it a versatile tool for various biochemical studies and drug development applications.