Allyl methyl carbonate

Inquiry

Molecular Formula:

C5H8O3

Molecular Weight:

116.11

CAS Number:

35466-83-2

Catalog Number:

35466-83-2

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

Canonical 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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

116.047344113 g/mol

Monoisotopic Mass

116.047344113 g/mol

Topological Polar Surface Area

35.5Å²

Heavy Atom Count

Formal Charge

Complexity

87.7

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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