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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-[(4R)-azepan-4-yl]-4-[(4-chlorophenyl)methyl]phthalazin-1-one

Clc1ccc(cc1)Cc1nn(C2CCNCCC2)c(=O)c2c1cccc2 Request for Quotation
Chemical Name: 2-[(4R)-azepan-4-yl]-4-[(4-chlorophenyl)methyl]phthalazin-1-one
CAS Number: 47491-38-3
Product Number: AG00DFEE(AGN-PC-05XGXP)
Synonyms:
MDL No:
Molecular Formula: C21H22ClN3O
Molecular Weight: 367.8719

Identification/Properties

Computed Properties
Molecular Weight:
367.877g/mol
XLogP3:
3.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
367.145g/mol
Monoisotopic Mass:
367.145g/mol
Topological Polar Surface Area:
44.7A^2
Heavy Atom Count:
26
Formal Charge:
0
Complexity:
529
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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


1(2H)-Phthalazinone, 4-[(4-chlorophenyl)methyl]-2-(hexahydro-1H-azepin-4-yl)- is a versatile compound that finds significant utility in chemical synthesis processes. This compound serves as a valuable building block for the creation of various organic molecules, particularly in the pharmaceutical and agrochemical industries.The presence of the phthalazinone core combined with the substituted phenyl and azepine moieties imparts unique reactivity and functionality to this compound, making it a valuable intermediate in the synthesis of complex molecules. In chemical synthesis, this compound can be utilized as a key precursor in the creation of bioactive compounds, potential drug candidates, and other structurally diverse molecules.Furthermore, the specific structural features of 1(2H)-Phthalazinone, 4-[(4-chlorophenyl)methyl]-2-(hexahydro-1H-azepin-4-yl)- make it an interesting target for synthetic chemists aiming to access novel chemical entities with diverse pharmacological or biological activities. Its incorporation in synthetic pathways opens up avenues for the development of novel compounds with tailored properties for various applications in the field of chemistry and related disciplines.