1H-Isoindole-1,3(2H)-dione, 2-(4-hydroxycyclohexyl)-, trans-


Chemical Name: 1H-Isoindole-1,3(2H)-dione, 2-(4-hydroxycyclohexyl)-, trans-
CAS Number: 99337-98-1
Product Number: AG006O96(AGN-PC-0W98PP)
Synonyms:
MDL No:
Molecular Formula: C14H15NO3
Molecular Weight: 245.2738

Identification/Properties


Properties
BP:
410°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
245.278g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
245.105g/mol
Monoisotopic Mass:
245.105g/mol
Topological Polar Surface Area:
57.6A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
336
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-H317-H319-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



The compound 2-(trans-4-Hydroxycyclohexyl)isoindoline-1,3-dione serves as a valuable building block in chemical synthesis processes. Its unique structure enables it to participate in a variety of reactions, making it a versatile tool for synthetic chemists. This molecule can undergo functional group transformations, such as oxidation, reduction, and substitution, to introduce different chemical moieties at specific positions. Additionally, the presence of the hydroxyl group allows for selective derivatization, leading to the synthesis of diverse derivatives with varying properties. In organic synthesis, this compound can act as a key intermediate in the preparation of biologically active compounds, pharmaceuticals, agrochemicals, and materials with tailored properties. Its strategic placement within a chemical pathway can enable the efficient construction of complex molecular architectures, making it an indispensable component in the toolbox of synthetic chemists.