Diallyl pyrocarbonate

Base Information

• Chemical Name: Diallyl pyrocarbonate
• CAS No.: 115491-93-5
• Molecular Formula: C8H10 O5
• Molecular Weight: 186.164
• European Community (EC) Number: 628-829-9
• DSSTox Substance ID: DTXSID80402700
• Nikkaji Number: J615.125F
• Wikidata: Q82206164
• Mol file: 115491-93-5.mol

Synonyms:Diallyl dicarbonate;Diallyl pyrocarbonate;115491-93-5;Pyrocarbonic Acid Diallyl Ester;Prop-2-enoxycarbonyl Prop-2-enyl Carbonate;Dicarbonic acid, 1,3-di-2-propen-1-yl ester;bis(prop-2-en-1-yl) dicarbonate;(Alloc)2O;Dicarbonic acid, di-2-propenyl ester;Diallyl pyrocarbonate, 97%;SCHEMBL47912;Bis[(allyloxy)formic]anhydride;DTXSID80402700;XVSSGIXTKVRGAR-UHFFFAOYSA-N;MFCD00077721;AKOS015836839;Diallyl pyrocarbonate, >=95.0% (T);AS-65806;FT-0769298;P1277;J-003296

Chemical Property of Diallyl pyrocarbonate

Chemical Property:

• Vapor Pressure: 0.054mmHg at 25°C
• Refractive Index: n20/D 1.434(lit.)
• Boiling Point: 60 °C0.05 mm Hg(lit.)
• Flash Point: 201 °F
• PSA: 61.83000
• Density: 1.121 g/mL at 25 °C(lit.)
• LogP: 1.64820
• Storage Temp.: 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 186.05282342
• Heavy Atom Count: 13
• Complexity: 187

Purity/Quality:

98%,99%, ^*data from raw suppliers

Diallyl dicarbonate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCOC(=O)OC(=O)OCC=C

Technology Process of Diallyl pyrocarbonate

There total 1 articles about Diallyl pyrocarbonate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 82.0%

sodium allyl carbonate (18802-49-8) + Allyl chloroformate (2937-50-0) → diallyl dicarbonate (115491-93-5)

Guidance literature:

DOI:10.1016/S0040-4039(01)81059-5

Reference yield: 100.0%

(E)-3-phenylacrylic acid (140-10-3) + diallyl dicarbonate (115491-93-5) → (E)-allyl cinnamate (1866-31-5,56289-55-5,56289-56-6)

Guidance literature:

With dmap; In tetrahydrofuran; for 22h;

DOI:10.1055/s-1994-25638

Reference yield: 100.0%

(R)-2-(1H-indol-3-yl)-N-methyl-2-(((2-nitrophenyl)thio)amino)acetamide + diallyl dicarbonate (115491-93-5) → allyl (R)-3-(2-(methylamino)-1-(((2-nitrophenyl)thio)amino)-2-oxoethyl)-1H-indole-1-carboxylate

Guidance literature:

With dmap; In tetrahydrofuran; at 20 ℃; for 0.166667h; Inert atmosphere;

DOI:10.3987/COM-18-S(T)86

upstream raw materials:

sodium allyl carbonate

Allyl chloroformate

Downstream raw materials:

N-allyloxycarbonyl-L-alanine

N-allyloxycarbonyl-(L)-valine

N-allyloxycarbonyl-(S)-phenylalanate

Benzyl 2-allyloxycarbonylamino-3,6-di-O-benzyl-2-desoxy-β-D-glucopyranoside

Refernces