Methyl pentafluorophenyl carbonate

Base Information

• Chemical Name: Methyl pentafluorophenyl carbonate
• CAS No.: 36919-03-6
• Molecular Formula: C8H3 F5 O3
• Molecular Weight: 242.102
• Hs Code.: 2920909090
• European Community (EC) Number: 678-764-5
• DSSTox Substance ID: DTXSID90557159
• Nikkaji Number: J3.154.134D
• Wikidata: Q82438972
• Mol file: 36919-03-6.mol

Synonyms:METHYL PENTAFLUOROPHENYL CARBONATE;36919-03-6;methyl (2,3,4,5,6-pentafluorophenyl) carbonate;METHYL (PERFLUOROPHENYL) CARBONATE;Carbonic acid, methyl pentafluorophenyl ester;MethylPentafluorophenylCarbonate;C8H3F5O3;SCHEMBL1401584;pentafluorophenyl methyl carbonate;DTXSID90557159;MFCD01075723;AKOS025213713;AS-42398;Carbonic Acid Methyl Pentafluorophenyl Ester;CS-0150672;M2594

Chemical Property of Methyl pentafluorophenyl carbonate

Chemical Property:

• Vapor Pressure: 0.224mmHg at 25°C
• Melting Point: 24°C
• Refractive Index: 1.422
• Boiling Point: 84°C 3mm
• Flash Point: 77.3°C
• PSA: 35.53000
• Density: 1.567g/cm³
• LogP: 2.52730
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Insoluble in water.
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 242.00023476
• Heavy Atom Count: 16
• Complexity: 248

Purity/Quality:

99% ^*data from raw suppliers

Methyl Pentafluorophenyl Carbonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R22:Harmful if swallowed.; R36/38:Irritating to eyes and skin.
• Hazard Codes: R22:Harmful if swallowed.; R36/38:Irritating to eyes and skin.
• Statements: 22-36/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)OC1=C(C(=C(C(=C1F)F)F)F)F

Technology Process of Methyl pentafluorophenyl carbonate

There total 4 articles about Methyl pentafluorophenyl carbonate 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: 99.0%

2,3,4,5,6-pentafluorophenol (771-61-9) + methyl chloroformate (79-22-1) → methyl pentafluorophenyl carbonate (36919-03-6)

Guidance literature:

With 4-methyl-morpholine; In dichloromethane; at 0 ℃; for 0.5h; Inert atmosphere;

DOI:10.1021/ol301090v

Reference yield:

2,3,4,5,6-pentafluorophenol (771-61-9) + 2,4,6-trinitrophenyl methyl carbonate (138835-54-8) → methyl pentafluorophenyl carbonate (36919-03-6) + potassium picrate (573-83-1)

Guidance literature:

With borate buffer; potassium chloride; In water; at 25 ℃; pH=8.0; Further Variations:; pH-values; Kinetics;

DOI:10.1021/jo010022j

Reference yield:

2,3,4,5,6-pentafluorophenol (771-61-9) + methyl 2,4-dinitrophenyl carbonate (6099-87-2) → methyl pentafluorophenyl carbonate (36919-03-6) + potassium 2,4-dinitrophenolate (14314-69-3)

Guidance literature:

With borate buffer; potassium chloride; In water; at 25 ℃; pH=9.0; Further Variations:; pH-values; Kinetics;

DOI:10.1021/jo010022j

upstream raw materials:

2,3,4,5,6-pentafluorophenol

p-nitrophenyl methyl carbonate

methyl 2,4-dinitrophenyl carbonate

2,4,6-trinitrophenyl methyl carbonate

Downstream raw materials:

(1S,6R)-methyl 3-methyl-6-(1-methylethenyl)-2-oxocyclohex-3-enecarboxylate

methyl 1-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylate

methyl 2-methyl-1-oxo-2,3-dihydro-1H-indene-2-carboxylate

methyl 6-methoxy-1-oxoindane-2-carboxylate

Refernces

• 1、 Flasz, Jakub T.,Hale, Karl J.. "A new stereocontrolled synthetic route to (-)-echinosporin from d-glucose via Padwa allenylsulfone [3 + 2]-anionic cycloadditive elimination". supporting information; experimental part. p. 3024 - 3027. Retrieved 2012/08/07.