Bicyclo[2.2.1]heptane-2,5-dione - CAS 27943-47-1

Catalog:	BB019716
Product Name:	Bicyclo[2.2.1]heptane-2,5-dione
CAS:	27943-47-1
Synonyms:	bicyclo[2.2.1]heptane-2,5-dione; bicyclo[2.2.1]heptane-2,5-dione

Technical Data

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Computed Properties

IUPAC Name:	bicyclo[2.2.1]heptane-2,5-dione
Description:	Bicyclo[2.2.1]heptane-2,5-dione (CAS# 27943-47-1 ) is a useful research chemical.
Molecular Weight:	124.14
Molecular Formula:	C7H8O2
Canonical SMILES:	C1C2CC(=O)C1CC2=O
InChI:	InChI=1S/C7H8O2/c8-6-2-4-1-5(6)3-7(4)9/h4-5H,1-3H2
InChI Key:	RVFBNLMXCXFOET-UHFFFAOYSA-N
Boiling Point:	254.2 °C at 760 mmHg
Density:	1.264 g/cm³
LogP:	0.55450

Publication Number	Title	Priority Date
WO-2020029647-A1	Method for synthesizing nucleoside compound and intermediate thereof	20180807
EP-3233850-B1	Hydroxy containing fxr (nr1h4) modulating compounds	20141217
JP-2018500304-A	Hydroxy-containing FXR (NR1H4) modulating compound	20141217
JP-6452820-B2	Hydroxy-containing FXR (NR1H4) modulating compound	20141217
US-2016176861-A1	Hydroxy containing fxr (nr1h4) modulating compounds	20141217

PMID	Publication Date	Title	Journal
16903000	20061115	Green's function study of the one-electron and shake-up ionization spectra of unsaturated hydrocarbon cage compounds	Journal of computational chemistry
17081029	20061110	Expanding the C2-symmetric bicyclo[2.2.1]hepta-2,5-diene ligand family: concise synthesis and catalytic activity in rhodium-catalyzed asymmetric addition	The Journal of organic chemistry
16435835	20060202	Rhodium-Catalyzed Asymmetric Conjugate Additions of Boronic Acids to enones using DIPHONANE: a novel chiral bisphosphine ligand	Organic letters
15104443	20040430	Enantioselective synthesis of DIANANE, a novel C2-symmetric chiral diamine for asymmetric catalysis	The Journal of organic chemistry
12123380	20020725	First asymmetric total synthesis of (+)-sparteine	Organic letters

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Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	124.052429494
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	124.052429494
Rotatable Bond Count:	0
Topological Polar Surface Area:	34.1
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4