Diethyl diallylmalonate - CAS 3195-24-2
Catalog: |
BB021111 |
Product Name: |
Diethyl diallylmalonate |
CAS: |
3195-24-2 |
Synonyms: |
diethyl 2,2-bis(prop-2-enyl)propanedioate |
IUPAC Name: | diethyl 2,2-bis(prop-2-enyl)propanedioate |
Description: | Diethyl diallylmalonate (CAS# 3195-24-2) is used in the synthesis of olefin metathesis catalysts with bidentate schiff-base ligands. |
Molecular Weight: | 240.30 |
Molecular Formula: | C13H20O4 |
Canonical SMILES: | CCOC(=O)C(CC=C)(CC=C)C(=O)OCC |
InChI: | InChI=1S/C13H20O4/c1-5-9-13(10-6-2,11(14)16-7-3)12(15)17-8-4/h5-6H,1-2,7-10H2,3-4H3 |
InChI Key: | LYUUVYQGUMRKOV-UHFFFAOYSA-N |
Boiling Point: | 242-244 °C |
Purity: | 95 % |
Density: | 0.994 g/cm3 |
Appearance: | Colorless liquid |
MDL: | MFCD00009126 |
LogP: | 2.25120 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22996838 | 20121029 | A dicationic ruthenium alkylidene complex for continuous biphasic metathesis using monolith-supported ionic liquids | Chemistry (Weinheim an der Bergstrasse, Germany) |
22628039 | 20120504 | Synthesis of electronically modified Ru-based neutral 16 VE allenylidene olefin metathesis precatalysts | Molecules (Basel, Switzerland) |
22188483 | 20120118 | On the mechanism of the initiation reaction in Grubbs-Hoveyda complexes | Journal of the American Chemical Society |
22161970 | 20120116 | Ring-closing metathesis in aqueous micellar medium | Chemistry (Weinheim an der Bergstrasse, Germany) |
21913728 | 20111021 | Toward a simulation approach for alkene ring-closing metathesis: scope and limitations of a model for RCM | The Journal of organic chemistry |
Complexity: | 264 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 240.13615911 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 240.13615911 |
Rotatable Bond Count: | 10 |
Topological Polar Surface Area: | 52.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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