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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)-

Methyl 3-oxoisoindoline-5-carboxylate

COC(=O)c1ccc2c(c1)C(=O)NC2 Request for Quotation
Chemical Name: Methyl 3-oxoisoindoline-5-carboxylate
CAS Number: 954239-52-2
Product Number: AG01AD4X(AGN-PC-0WAI47)
Synonyms:
MDL No:
Molecular Formula: C10H9NO3
Molecular Weight: 191.1834

Identification/Properties

Properties
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
191.186g/mol
XLogP3:
0.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
191.058g/mol
Monoisotopic Mass:
191.058g/mol
Topological Polar Surface Area:
55.4A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
264
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#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


Methyl 3-oxoisoindoline-5-carboxylate is a versatile compound widely utilized in organic synthesis as a key building block for various chemical transformations. This unique compound serves as a valuable starting material in the synthesis of diverse organic molecules due to its functional groups and reactivity.In chemical synthesis, Methyl 3-oxoisoindoline-5-carboxylate can undergo reactions such as nucleophilic addition, substitution, and cycloaddition to form complex structures with multiple functional groups. Its carbonyl group allows for the introduction of new substituents and facilitates the formation of carbon-carbon or carbon-heteroatom bonds.Furthermore, the isoindoline moiety in this compound offers synthetic versatility by providing a scaffold for further modifications, such as ring-opening reactions or ring-closure reactions. The presence of the ester group enhances the compound's compatibility for coupling reactions and enables the incorporation of additional functionalities.Overall, the application of Methyl 3-oxoisoindoline-5-carboxylate in chemical synthesis showcases its importance as a valuable intermediate for the construction of diverse organic molecules with unique structures and properties.