Vinylene carbonate
Product Information
Molecular Formula
C3H2O3
Molecular Weight
86.05
Description
Vinylene carbonate (CAS# 872-36-6) is an inhibitor of breast cancer stem cells, with greater than 23 fold selectivity of inhibition in the cell line.
Synonyms
1,3-dioxol-2-one
IUPAC Name
1,3-dioxol-2-one
SMILES
C1=COC(=O)O1
InChI
InChI=1S/C3H2O3/c4-3-5-1-2-6-3/h1-2H
InChI Key
VAYTZRYEBVHVLE-UHFFFAOYSA-N
Boiling Point
162 °C
Melting Point
19-22 °C
Flash Point
176.0 °C
Purity
> 97.0 % (GC)
Density
1.355 g/cm3
Appearance
Clear colorless to light yellow liquid
Storage
2-8 °C
Refractive Index
1.42
LogP
0.23280
Safety Information
Hazards
H302 - H311 - H315 - H317 - H318 - H373 - H411
Precautionary Statement
P260, P261, P264, P270, P272, P273, P280, P301+P312, P302+P352, P305+P351+P338, P310, P312, P314, P321, P322, P330, P332+P313, P333+P313, P361, P362, P363, P391, P405, and P501
Signal Word
Danger
Computed Properties
XLogP3
0.3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
86.000393922 g/mol
Monoisotopic Mass
86.000393922 g/mol
Topological Polar Surface Area
35.5Ų
Heavy Atom Count
6
Formal Charge
0
Complexity
84.2
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
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| US-2015380739-A1 | Negative electrode plate for nonaqueous electrolyte secondary battery and method of producing the same | 2014-06-30 |
| US-2015366887-A1 | Substituted nucleosides, nucleotides and analogs thereof | 2014-06-24 |
| WO-2015200205-A1 | Substituted nucleosides, nucleotides and analogs thereof | 2014-06-24 |
| WO-2015200219-A1 | Substituted nucleosides, nucleotides and analogs thereof | 2014-06-24 |
| WO-2015196088-A1 | Porous silicon electrode and method | 2014-06-20 |
| WO-2015188932-A1 | Electrolyte, cell and battery comprising the electrolyte, and use of the electrolyte | 2014-06-12 |
| WO-2015189094-A1 | Process for producing microporous polyester membranes for electronic applications | 2014-06-12 |
| WO-2015192051-A1 | Prelithiation solutions for lithium-ion batteries | 2014-06-12 |
| WO-2015185400-A1 | Metal oxide coated cathodes comprising sulfur for electrochemical cells | 2014-06-06 |
| EP-2952518-A1 | Organic Phosphonium Salts, a Method for their Preparation, and their Use in Electrochemical Systems | 2014-06-05 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 20728357 | 2010-10-01 | Novel amides and esters prodrugs of olmesartan: Synthesis, bioconversion, and pharmacokinetic evaluation | Bioorganic & medicinal chemistry letters |
| 19539519 | 2009-09-15 | Structural and vibrational studies of molecular conductors using quantum mechanical methods: 1,3-Dithiole-2-thione, 1,3-dithiole-2-one, 1,3-dioxole-2-one and 1,3-dioxole-2-thione | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
| 21577778 | 2009-09-05 | 3-(6-Benz-yloxy-2,2-dimethyl-perhydro-furo[2,3-d][1,3]dioxolan-5-yl)-5-(4-chloro-phen-yl)-4-nitro-2-phenyl-2,3,4,5-tetra-hydro-isoxazole | Acta crystallographica. Section E, Structure reports online |
| 21583959 | 2009-04-30 | 3-(6-Benz-yloxy-2,2-dimethyl-perhydro-furo[2,3-d][1,3]dioxol-5-yl)-5-(4-bromo-phen-yl)-2-phenyl-perhydro-pyrrolo[3,4-d]isoxazole-4,6-dione | Acta crystallographica. Section E, Structure reports online |
| 18646851 | 2008-08-20 | End capping ring-opening olefin metathesis polymerization polymers with vinyl lactones | Journal of the American Chemical Society |
| 16242651 | 2005-10-01 | Supramolecular fluorophores for biological studies: phenylene vinylene-amino acid amphiphiles | Chemistry & biology |
| 15548073 | 2004-11-25 | Method for the rapid synthesis of highly functionalized 2-hydroxy-1-naphthoates. Syntheses of the naphthoic acid components of neocarzinostatin chromophore and N1999A2 | Organic letters |
| 15531783 | 2004-11-01 | Immobilization of glucoamylase onto novel porous polymer supports of vinylene carbonate and 2-hydroxyethyl methacrylate | Applied biochemistry and biotechnology |
| 15453764 | 2004-10-06 | Chemoenzymatic synthesis and high-throughput screening of an aminoglycoside-polyamine library: identification of high-affinity displacers and DNA-binding ligands | Journal of the American Chemical Society |
| 15803718 | 2004-02-17 | Atomic force microscopy study on the stability of a surface film formed on a graphite negative electrode at elevated temperatures | Langmuir : the ACS journal of surfaces and colloids |
