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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)-

Ethanone, 1-(3-isoquinolinyl)-

CC(=O)c1ncc2c(c1)cccc2 Request for Quotation
Chemical Name: Ethanone, 1-(3-isoquinolinyl)-
CAS Number: 91544-03-5
Product Number: AG00GTUI(AGN-PC-005SLT)
Synonyms:
MDL No:
Molecular Formula: C11H9NO
Molecular Weight: 171.1953

Identification/Properties

Properties
MP:
88℃
Form:
Solid
Computed Properties
Molecular Weight:
171.199g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
171.068g/mol
Monoisotopic Mass:
171.068g/mol
Topological Polar Surface Area:
30A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
202
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


1-(Isoquinolin-3-yl)ethanone, also known as $name$, is a versatile chemical compound widely used in chemical synthesis for various applications. This compound serves as a key building block in the creation of pharmaceuticals, agrochemicals, and materials due to its unique chemical properties.One of the primary applications of 1-(Isoquinolin-3-yl)ethanone is as a precursor in the synthesis of novel drug molecules. Its structural characteristics make it a valuable intermediate in the production of pharmaceutical agents targeting specific biological pathways. By undergoing various chemical transformations, this compound can be modified to introduce specific functional groups and enhance the bioactivity of the final drug product.In addition to its role in pharmaceutical synthesis, 1-(Isoquinolin-3-yl)ethanone is also utilized in the development of agrochemicals. The ability of this compound to participate in diverse chemical reactions allows for the construction of compounds with potent pesticidal or herbicidal properties. Through strategic modifications of its chemical structure, researchers can tailor the activity of the resulting agrochemical to target specific pests or pathogens effectively.Furthermore, 1-(Isoquinolin-3-yl)ethanone finds application in material science for the synthesis of novel organic materials with tailored properties. Its incorporation into polymer chains or coordination complexes can lead to materials with desired electronic, optical, or magnetic characteristics. This versatility makes it a valuable component in the design of advanced materials for various industrial applications.In conclusion, 1-(Isoquinolin-3-yl)ethanone plays a crucial role in chemical synthesis, particularly in the development of pharmaceuticals, agrochemicals, and advanced materials. Its flexibility as a building block enables the creation of diverse chemical structures with specific functionalities, making it an essential compound in the field of organic chemistry.