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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-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethanone

CC(=O)c1c[nH]c2c1c(Cl)ncn2 Request for Quotation
Chemical Name: 1-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethanone
CAS Number: 1363381-59-2
Product Number: AG0011PO(AGN-PC-0D33YE)
Synonyms:
MDL No: MFCD22205848
Molecular Formula: C8H6ClN3O
Molecular Weight: 195.6057

Identification/Properties

Properties
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
195.606g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
195.02g/mol
Monoisotopic Mass:
195.02g/mol
Topological Polar Surface Area:
58.6A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
223
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


5-Acetyl-4-Chloro-7H-pyrrolo[2,3-d]pyrimidine is a versatile compound widely used in chemical synthesis. Its applications in organic chemistry are extensive, making it a valuable reagent in various reactions and processes. This compound serves as a key building block in the development of novel pharmaceuticals, agrochemicals, and materials due to its unique chemical properties. Its functional groups play a critical role in facilitating the creation of complex molecular structures through diverse synthetic pathways. In particular, the acetyl and chloro substituents on the pyrrolopyrimidine scaffold enable selective modifications and functionalization, enhancing the structural diversity of synthesized compounds. Additionally, the presence of the pyrrole ring in the molecule imparts specific reactivity and potential for further derivatization, making it an essential component in the synthesis of biologically active molecules. Overall, 5-Acetyl-4-Chloro-7H-pyrrolo[2,3-d]pyrimidine is a vital tool for organic chemists seeking to access novel compounds with potential applications in various fields.