Isopropenyl chloroformate

Base Information

• Chemical Name: Isopropenyl chloroformate
• CAS No.: 57933-83-2
• Molecular Formula: C4H5ClO2
• Molecular Weight: 120.535
• Hs Code.: 29151300
• European Community (EC) Number: 261-018-4
• UNII: JH4WS74VHF
• DSSTox Substance ID: DTXSID10206637
• Nikkaji Number: J296.826F
• Wikidata: Q72485544
• Mol file: 57933-83-2.mol

Synonyms:Isopropenyl chloroformate;57933-83-2;prop-1-en-2-yl carbonochloridate;Carbonochloridic acid, 1-methylethenyl ester;isopropenylchloroformate;JH4WS74VHF;prop-1-en-2-yl chloroformate;EINECS 261-018-4;isopropenylchloro-formate;UNII-JH4WS74VHF;SCHEMBL27786;DTXSID10206637;Chloroformic acid isopropenyl ester;chlorocarbonic acid isopropenyl ester;MFCD00037083;1-METHYLETHENYL CARBONOCHLORIDATE;BB 0260089;FT-0627461

Chemical Property of Isopropenyl chloroformate

Chemical Property:

• Appearance/Colour: Colorless clear liquid
• Vapor Pressure: 37.4mmHg at 25°C
• Refractive Index: n20/D 1.414(lit.)
• Boiling Point: 100 °C at 760 mmHg
• Flash Point: 16.1 °C
• PSA: 26.30000
• Density: 1.103 g/cm³
• LogP: 1.89540
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Sparingly), Ethyl Acetate (Slightly)
• Water Solubility.: reacts
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 119.9978071
• Heavy Atom Count: 7
• Complexity: 97.9

Purity/Quality:

99% ^*data from raw suppliers

IsopropenylChloroformate(stabilizedwith100ppmBHT) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F； T； T+
• Hazard Codes: F,T,T+
• Statements: 11-23/24/25-34-36/37-29-26-21/22
• Safety Statements: 16-26-27-36/37/39-45-8-28A

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=C)OC(=O)Cl
• Uses: Isopropenyl Chloroformate is a reagent involved in the preparation of ketones via palladium-catalyzed decarboxylative cross-coupling reaction of benzyl vinyl carbonates.

Technology Process of Isopropenyl chloroformate

There total 3 articles about Isopropenyl chloroformate 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:

phosgene (75-44-5) + bis(acetonyl)mercury (6704-33-2) → Isopropenyl chloroformate (57933-83-2)

Guidance literature:

In dichloromethane;

DOI:10.1021/jo00398a058

Reference yield:

phosgene (75-44-5) + acetone (67-64-1) → Isopropenyl chloroformate (57933-83-2)

Guidance literature:

at 20 ℃;

DOI:10.1021/ja01324a504

Reference yield:

→ Isopropenyl chloroformate (57933-83-2)

Guidance literature:

upstream raw materials:

phosgene

acetone

bis(acetonyl)mercury

Downstream raw materials:

Isoprenyl-N-cyclohexylcarbamat

Z-Asp(OBzl)-OH

Z-Asp-OBn

(S)-2-Benzyloxycarbonylamino-pentanedioic acid 5-methyl ester