Nom du produit:8-(Cyclopropylmethyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile

IUPAC Name:8-(cyclopropylmethyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile

CAS:916159-85-8
Formule moléculaire:C13H19NO2
Pureté:95%+
Numéro de catalogue:CM218749
Poids moléculaire:221.3

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Détails du produit

N° CAS:916159-85-8
Formule moléculaire:C13H19NO2
Point de fusion:-
Code SMILES:N#CC(CC1)(CC2CC2)CCC31OCCO3
Densité:
Numéro de catalogue:CM218749
Poids moléculaire:221.3
Point d'ébullition:
N° Mdl:MFCD20265524
Stockage:

Category Infos

Spiro Compounds
A spiro compound is a polycyclic compound in which two monocyclic rings share one carbon atom; the shared carbon atom is called a spiro atom. Spiro compounds have rigid structures, stable structures, and have special properties that general organic compounds do not possess, such as anomeric effect, spiro conjugation and spiro hyperconjugation. Compared with the monocyclic structure or the planar aromatic structure, the spiro structure has a larger three-dimensional structure; the heterocyclic spiro structure is also regarded as the biological isostere of some groups, which can change the drug to a certain extent. The water solubility, lipophilicity, dominant conformation and ADMET properties of the molecule make the optimized lead molecule easier to drug. Therefore, spiro compounds occupy a very important position in drug development.
Spiro And Bicyclic Compound
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Cyclohexanes
Cyclohexane is an organic compound with a chemical formula C6H12. It is a colorless liquid with a pungent odor, insoluble in water, and soluble in most organic solvents such as ethanol, ether, benzene, and acetone. Cyclohexyl fragments are a common structure in both natural and synthetic drugs. It can be used as both core structure and part of achiral side chain.
Cyclopropanes
Cyclopropane is the smallest cyclic compound with unique structural features and physicochemical properties, which is widely used in the design of small molecule drugs. In drug design, it is often used to increase activity, fix conformation and improve PK and water solubility. The introduction of cyclopropyl groups into drugs can change various properties of molecules, such as improving metabolic stability; increasing biological activity; enhancing drug efficacy; limiting polypeptide conformation and slowing down its hydrolysis; reducing plasma clearance; improving drug dissociation and many more. Cyclopropane rings are widely found in marketed drugs, including cardiovascular drugs, central nervous system (CNS) drugs, anticancer drugs, autoimmune and anti-inflammatory drugs.
Dioxolanes
Dioxolane is a heterocyclic acetal with the formula (CH2)2O2CH2. It is related to tetrahydrofuran by exchanging an oxygen for the CH2 group. The isomer 1,2-dioxolane (in which the two oxygen centers are adjacent) is a peroxide. 1,3-Dioxolane is used as solvent and comonomer in polyacetal. The dioxolane-type and their hydrogenolysis can provide very valuable partially protected building blocks either for oligosaccharide syntheses or sugar transformations.

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