DIALLYL CARBONATE

Product Information

Molecular Formula:
C7H10O3
Molecular Weight:
142.15
Description
Transesterification of diallyl carbonate with glycerol in the presence of a catalyst (Pd/PPh3), generates glycerol carbonate.
Synonyms
Allyl carbonate; Carbonic acid, di-2-propenyl ester; Carbonic acid, diallyl ester; carbonicacid,di-2-propenylester; DIALLYL CARBONATE; Carbonic acid diallyl
IUPAC Name
bis(prop-2-enyl) carbonate
Canonical SMILES
C=CCOC(=O)OCC=C
InChI
InChI=1S/C7H10O3/c1-3-5-9-7(8)10-6-4-2/h3-4H,1-2,5-6H2
InChI Key
JKJWYKGYGWOAHT-UHFFFAOYSA-N
Boiling Point
172.3°C at 760mmHg
Flash Point
138.2 °CF - closed cup
Purity
95%
Density
0.991 g/mL at 25 °C(lit.)
Storage
2-8°C
Refractive Index
n20/D 1.428 (lit.)

Safety Information

Hazards
H226 - H315 - H319 - H335
Precautionary Statement
P210 - P302 + P352 - P305 + P351 + P338

Computed Properties

XLogP3
1.8
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
6
Exact Mass
142.062994177 g/mol
Monoisotopic Mass
142.062994177 g/mol
Topological Polar Surface Area
35.5Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
115
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

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CN-112680148-A Binder, preparation method of binder, electrode plate and secondary battery 2020-12-11
CN-112409587-A Method for preparing polycarbonate photoinitiator and coating 2020-11-23
DE-102020124036-A1 Stabilizer system containing sulfide for thiol-ene and thiol-yne compositions 2020-09-15

Literatures

PMID Publication Date Title Journal
22266740 2012-02-27 Pd-catalyzed reaction of allyl carbonate with polyols: the role of CO2 in transesterification versus etherification of glycerol Chemistry (Weinheim an der Bergstrasse, Germany)
21714524 2011-08-17 Contemporaneous dual catalysis: chemoselective cross-coupling of catalytic vanadium-allenoate and π-allylpalladium intermediates Journal of the American Chemical Society
21578402 2009-10-23 Diallyl 5-[(4-hexyl-oxyphen-yl)imino-meth-yl]-m-phenyl-ene dicarbonate Acta crystallographica. Section E, Structure reports online
21582877 2009-06-17 Allyl 4-hydroxy-phenyl carbonate Acta crystallographica. Section E, Structure reports online
19275160 2009-04-01 Asymmetric synthesis of diamine derivatives via sequential palladium and rhodium catalysis Journal of the American Chemical Society
19284738 2009-03-20 Enzymatic desymmetrization of prochiral 2-substituted-1,3-diamines: preparation of valuable nitrogenated compounds The Journal of organic chemistry
19325925 2009-01-01 Synthesis, structure, electrochemistry, and cytotoxic properties of ferrocenyl ester derivatives Metal-based drugs
17880228 2007-10-11 First desymmetrization of 1,3-propanediamine derivatives in organic solvent. Development of a new route for the preparation of optically active amines Organic letters
17337343 2007-05-01 Preparation of cyclic 2',3'-carbamate derivatives of erythromycin macrolide antibiotics Bioorganic & medicinal chemistry
16426677 2006-05-01 Examination of the effects of poly(N-vinylpyrrolidinone) hydrogels in direct and indirect contact with cells Biomaterials
The molarity calculator equation

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

The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

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