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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)-

6-(tert-Butyl)-8-fluorophthalazin-1(2H)-one

Fc1cc(cc2c1c(=O)[nH]nc2)C(C)(C)C Request for Quotation
Chemical Name: 6-(tert-Butyl)-8-fluorophthalazin-1(2H)-one
CAS Number: 1242156-59-7
Product Number: AG000LOY(AGN-PC-0WABP7)
Synonyms:
MDL No:
Molecular Formula: C12H13FN2O
Molecular Weight: 220.2428

Identification/Properties

Computed Properties
Molecular Weight:
220.247g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
220.101g/mol
Monoisotopic Mass:
220.101g/mol
Topological Polar Surface Area:
41.5A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
322
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-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


6-(tert-Butyl)-8-fluorophthalazin-1(2H)-one is a versatile compound that finds its application in various chemical synthesis processes. With its unique chemical structure and properties, this compound serves as a valuable building block in the synthesis of pharmaceuticals, agrochemicals, and materials.In chemical synthesis, 6-(tert-Butyl)-8-fluorophthalazin-1(2H)-one acts as a key intermediate in the preparation of biologically active compounds. Its fluorine substitution at the 8-position imparts specific reactivity and properties that are crucial for the synthesis of certain drug molecules. Additionally, the tert-butyl group at the 6-position provides steric hindrance and can influence the compound's solubility and stability in various solvents.Furthermore, the presence of the phthalazine ring system in this compound allows for further functionalization through various chemical reactions such as substitution, oxidation, and reduction. This enables chemists to modify the compound's structure to fine-tune its properties for specific applications in drug discovery or material science.Overall, 6-(tert-Butyl)-8-fluorophthalazin-1(2H)-one plays a significant role in chemical synthesis by serving as a versatile intermediate that can be tailored to meet the diverse needs of synthetic chemists in developing new molecules with potential pharmaceutical or industrial applications.