1-(1,4-Dioxaspiro[4.5]dec-8-yl)pyrrolidine - CAS 72714-97-7

Catalog:	BB055933
Product Name:	1-(1,4-Dioxaspiro[4.5]dec-8-yl)pyrrolidine
CAS:	72714-97-7
Synonyms:	1,4-Dioxaspiro[4.5]decane Pyrrolidine Derivative

Technical Data

IUPAC Name:	1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrrolidine
Description:	1-(1,4-Dioxaspiro[4.5]dec-8-yl)pyrrolidine is an intermediate in synthesizing 1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl)pyrrolidine (T302640). It is an analogue of 5-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-en-1-one (M330210), a reactant used in the preparation of kinase inhibitors.
Molecular Weight:	211.31
Molecular Formula:	C12H21NO2
Canonical SMILES:	C1CCN(C1)C2CCC3(CC2)OCCO3
InChI:	InChI=1S/C12H21NO2/c1-2-8-13(7-1)11-3-5-12(6-4-11)14-9-10-15-12/h11H,1-10H2
InChI Key:	RMWCZBNBDOEHQY-UHFFFAOYSA-N

Complexity:	210
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	211.157228913
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	211.157228913
Rotatable Bond Count:	1
Topological Polar Surface Area:	21.7Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5