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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)-

1,2,4-Triazolo[4,3-a]pyrimidine-7-carboxylic acid, 5-chloro-, ethyl ester

CCOC(=O)c1cc(Cl)n2c(n1)nnc2 Request for Quotation
Chemical Name: 1,2,4-Triazolo[4,3-a]pyrimidine-7-carboxylic acid, 5-chloro-, ethyl ester
CAS Number: 99951-90-3
Product Number: AG00IKCX(AGN-PC-002RUO)
Synonyms:
MDL No:
Molecular Formula: C8H7ClN4O2
Molecular Weight: 226.6198

Identification/Properties

Computed Properties
Molecular Weight:
226.62g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
226.026g/mol
Monoisotopic Mass:
226.026g/mol
Topological Polar Surface Area:
69.4A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
253
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#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


Ethyl 5-chloro[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxylate is a versatile compound commonly utilized in chemical synthesis due to its unique structural properties. This compound serves as a valuable building block in the preparation of various organic molecules and pharmaceuticals. Its incorporation in synthetic routes enables the introduction of the 5-chloro[1,2,4]triazolo[4,3-a]pyrimidine moiety into target molecules, thereby imparting specific biological activities or enhancing desired physicochemical properties. The presence of the ethyl ester and carboxylate functionalities offers opportunities for further derivatization, enabling the modification of the compound for specific applications in drug discovery, agrochemical development, and materials science. The strategic utilization of Ethyl 5-chloro[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxylate in chemical synthesis facilitates the efficient construction of diverse molecular scaffolds, making it a valuable tool for synthetic chemists aiming to access novel compounds with tailored properties.