cis-Bicyclo[3.3.0]octane-3,7-dione - CAS 51716-63-3

Name: cis-Bicyclo[3.3.0]octane-3,7-dione
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB027556
Product Name:	cis-Bicyclo[3.3.0]octane-3,7-dione
CAS:	51716-63-3
Synonyms:	1,3,3a,4,6,6a-hexahydropentalene-2,5-dione

Technical Data

IUPAC Name:	1,3,3a,4,6,6a-hexahydropentalene-2,5-dione
Description:	cis-Bicyclo[3.3.0]octane-3,7-dione (CAS# 51716-63-3) is an intermediate in the synthesis of Loganin (L469405), an iridoid glycoside that exhibits protective effects against hepatic injury and other diabetic complications associated with abnormal metabolic states and inflammation caused by oxidative stress and advanced glycation endproduct formation. A potential anti-amnesic agent.
Molecular Weight:	138.16
Molecular Formula:	C8H10O2
Canonical SMILES:	C1C2CC(=O)CC2CC1=O
InChI:	InChI=1S/C8H10O2/c9-7-1-5-2-8(10)4-6(5)3-7/h5-6H,1-4H2
InChI Key:	HAFQHNGZPQYKFF-UHFFFAOYSA-N
Boiling Point:	268.3 °C at 760 mmHg
Density:	1.191 g/cm³
Appearance:	Solid
LogP:	0.94460

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word:	Warning

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CN-111205264-A	Novel method for synthesizing homotopic hydroxyl and methylsulfonyl methyl compound	20200225
CN-110437431-B	Bio-based dicyclopentadiene copolyester and application thereof	20190805
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PMID	Publication Date	Title	Journal
21202657	20080524	Di-tert-butyl N,N'-(octa-hydro-penta-lene-2,5-di-yl)dicarbamate	Acta crystallographica. Section E, Structure reports online
14575509	20031031	Alternative syntheses of the new D2d symmetric tetramethyl tricyclo- [3.3.0.0(3,7)]octane-1,3,5,7-tetracarboxylate	The Journal of organic chemistry

Complexity:	157
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	138.068079557
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	138.068079557
Rotatable Bond Count:	0
Topological Polar Surface Area:	34.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4