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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)-

3-[7-cyano-5-(2-nitropropyl)-2,3-dihydroindol-1-yl]propyl benzoate

N#Cc1cc(CC([N+](=O)[O-])C)cc2c1N(CCCOC(=O)c1ccccc1)CC2 Request for Quotation
Chemical Name: 3-[7-cyano-5-(2-nitropropyl)-2,3-dihydroindol-1-yl]propyl benzoate
CAS Number: 350797-56-7
Product Number: AG0037D4(AGN-PC-0N0UL1)
Synonyms:
MDL No:
Molecular Formula: C22H23N3O4
Molecular Weight: 393.4357

Identification/Properties

Properties
MP:
73-75°C
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
393.443g/mol
XLogP3:
4.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
8
Exact Mass:
393.169g/mol
Monoisotopic Mass:
393.169g/mol
Topological Polar Surface Area:
99.2A^2
Heavy Atom Count:
29
Formal Charge:
0
Complexity:
619
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


3-(7-Cyano-5-(2-nitropropyl)indolin-1-yl)propyl benzoate is a versatile compound commonly employed in chemical synthesis as a key intermediate in the development of pharmaceuticals, agrochemicals, and specialty chemicals. With its unique structure and functional groups, this molecule plays a crucial role in the creation of various complex organic compounds through multistep synthesis processes.In chemical synthesis, 3-(7-Cyano-5-(2-nitropropyl)indolin-1-yl)propyl benzoate serves as a valuable building block for constructing molecular frameworks with specific properties and functionalities. Its cyano group allows for diverse chemical modifications, enabling the introduction of different substituents to fine-tune the desired properties of the final product. The indolin-1-yl and nitropropyl moieties offer opportunities for selective reactions and regioselective transformations, enhancing the structural diversity and complexity of the synthesized compounds.Furthermore, the presence of the propyl benzoate moiety in this compound can act as a protecting group or a site for further derivatization, facilitating the synthesis of more advanced intermediates or final products with enhanced stability or reactivity. Overall, the strategic incorporation of 3-(7-Cyano-5-(2-nitropropyl)indolin-1-yl)propyl benzoate in chemical synthesis enables chemists to access a wide range of structurally diverse molecules with tailored properties for applications in various fields of chemistry and beyond.