Allyl methyl carbonate
Product Information
Molecular Formula
C5H8O3
Molecular Weight
116.11
Description
Employed in the Pd(0)-mediated synthesis of allyl aryl ethers and sulfides, and α,β-unsaturated carbonyls.
Synonyms
CARBONIC ACID ALLYL METHYL ESTER; ALLYL METHYL CARBONATE; Allyl methyl carbonate ,98%; 3-(Methoxycarbonyloxy)propene; Carbonic acid O-allyl O-methyl ester; Methyl allyl carbonate
IUPAC Name
methyl prop-2-enyl carbonate
SMILES
COC(=O)OCC=C
InChI
InChI=1S/C5H8O3/c1-3-4-8-5(6)7-2/h3H,1,4H2,2H3
InChI Key
YHLVIDQQTOMBGN-UHFFFAOYSA-N
Boiling Point
131°C
Flash Point
91.4 °CF - closed cup
Purity
95%
Density
1.022
Appearance
Clear colorless liquid
Storage
Refrigerator
Refractive Index
n20/D 1.406 (lit.)
Safety Information
Hazards
H315 H319
Precautionary Statement
P501 P240 P210 P233 P243 P241 P242 P264 P280 P370 + P378 P337 + P313 P305 + P351 + P338 P362+P364 P303 + P361 + P353 P332 + P313 P403 + P235
Computed Properties
XLogP3
1.2
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
116.047344113 g/mol
Monoisotopic Mass
116.047344113 g/mol
Topological Polar Surface Area
35.5Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
87.7
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 |
|---|---|---|
| JP-2022023701-A | Polishing sheet | 2020-07-27 |
| JP-2021163857-A | Solid electrolytic capacitors and their manufacturing methods | 2020-03-31 |
| WO-2021200882-A1 | Solid electrolyte capacitor and method for manufacturing same | 2020-03-31 |
| JP-2021163863-A | Method for manufacturing solid electrolytic capacitor, conductive polymer dispersion, and conductive polymer dispersion | 2020-03-31 |
| JP-2021163864-A | Electrolytic capacitors and power converters | 2020-03-31 |
| JP-2021163781-A | Solid electrolytic capacitors and manufacturing method | 2020-03-30 |
| WO-2021193282-A1 | Electrolytic capacitor | 2020-03-27 |
| KR-20210112897-A | Double metal cyanide catalyst, preparation method thereof and polyol preparation method | 2020-03-06 |
| KR-102324285-B1 | Double metal cyanide catalyst, preparation method thereof and polyol preparation method | 2020-03-06 |
| WO-2021125220-A1 | Electrolytic capacitor | 2019-12-18 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 15202917 | 2004-06-25 | Palladium(0)-catalyzed stereoselective cyclization of allenenes: divergent synthesis of pyrrolidines and 3-azabicyclo[3.1.0]hexanes from single allenenes | The Journal of organic chemistry |
| 15068080 | 2003-01-01 | Tetrazole synthesis via the palladium-catalyzed three component coupling reaction | Molecular diversity |
| 12375972 | 2002-10-18 | Palladium-catalyzed selective synthesis of 2-allyltetrazoles | The Journal of organic chemistry |
| 12358538 | 2002-10-09 | Synthesis of allyl cyanamides and N-cyanoindoles via the palladium-catalyzed three-component coupling reaction | Journal of the American Chemical Society |
