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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-oxo-2,3-dihydroisoindole-5-carbonitrile

N#Cc1ccc2c(c1)CNC2=O Request for Quotation
Chemical Name: 1-oxo-2,3-dihydroisoindole-5-carbonitrile
CAS Number: 1261869-76-4
Product Number: AG000S27(AGN-PC-07YK8I)
Synonyms:
MDL No:
Molecular Formula: C9H6N2O
Molecular Weight: 158.1567

Identification/Properties

Properties
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
158.16g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
158.048g/mol
Monoisotopic Mass:
158.048g/mol
Topological Polar Surface Area:
52.9A^2
Heavy Atom Count:
12
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
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


1-Oxoisoindoline-5-carbonitrile, also known as $name$, is a valuable building block in chemical synthesis due to its versatile reactivity and structural features. This compound serves as a key intermediate in the production of various organic molecules with pharmaceutical, agricultural, and material science applications. Its unique combination of a nitrile group and a carbonyl group allows for the introduction of various functional groups and can participate in a wide range of chemical reactions, such as nucleophilic addition, condensation, and cyclization. In organic synthesis, 1-Oxoisoindoline-5-carbonitrile is commonly used for the construction of complex heterocyclic structures, including indole derivatives, benzodiazepines, and indole alkaloids. Additionally, its presence in the molecular framework imparts desirable properties to the final products, making it a valuable tool for the preparation of bioactive compounds and advanced materials. By leveraging the reactivity of 1-Oxoisoindoline-5-carbonitrile in strategic synthetic pathways, researchers and chemists can access a diverse array of functionalized molecules with potential utility across various scientific disciplines.