Methyl 2,3,4,5,6-pentafluorophenylacetate

Base Information

• Chemical Name: Methyl 2,3,4,5,6-pentafluorophenylacetate
• CAS No.: 145682-85-5
• Molecular Formula: C9H5 F5 O2
• Molecular Weight: 240.13
• DSSTox Substance ID: DTXSID60393667
• Wikidata: Q82192516
• Mol file: 145682-85-5.mol

Synonyms:Methyl 2,3,4,5,6-pentafluorophenylacetate;145682-85-5;Methyl 2-(2,3,4,5,6-pentafluorophenyl)acetate;Pentafluorophenylacetic acid methyl ester;SCHEMBL5007047;DTXSID60393667;methyl 2-(perfluorophenyl)acetate;AKOS024370864;FT-0643382;Methyl 2,3,4,5,6-pentafluorophenylacetate, 99%;J-008136

Chemical Property of Methyl 2,3,4,5,6-pentafluorophenylacetate

Chemical Property:

• Vapor Pressure: 0.495mmHg at 25°C
• Refractive Index: n20/D 1.43(lit.)
• Boiling Point: 192.2°C at 760 mmHg
• Flash Point: 195 °F
• PSA: 26.30000
• Density: 1.47 g/mL at 25 °C(lit.)
• LogP: 2.09760
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 240.02097021
• Heavy Atom Count: 16
• Complexity: 246

Purity/Quality:

98%min ^*data from raw suppliers

METHYL2,3,4,5,6-PENTAFLUOROPHENYLACETATE ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CC1=C(C(=C(C(=C1F)F)F)F)F

Technology Process of Methyl 2,3,4,5,6-pentafluorophenylacetate

There total 1 articles about Methyl 2,3,4,5,6-pentafluorophenylacetate 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:

→ METHYL 2,3,4,5,6-PENTAFLUOROPHENYLACETATE (145682-85-5)

Guidance literature:

Reference yield: 76.0%

METHYL 2,3,4,5,6-PENTAFLUOROPHENYLACETATE (145682-85-5) → methyl 2-((1r,2R,3R,4s,5S,6S)-2,3,4,5,6-pentafluorocyclohexyl)acetate

Guidance literature:

With [Rh(cod)(CI)(CAAC^Cy)]; hydrogen; In hexane; at 20 ℃; for 16h; under 37503.8 Torr; Molecular sieve; Autoclave;

DOI:10.1002/chem.202102819

Reference yield: 6.0%

METHYL 2,3,4,5,6-PENTAFLUOROPHENYLACETATE (145682-85-5) → methyl 2-((1S,2S,3R,4R,6S)-2,3,4,6-tetrafluorocyclohexyl)acetate

Guidance literature:

With [Rh(cod)(CI)(CAAC^Cy)]; hydrogen; In hexane; at 20 ℃; for 16h; under 37503.8 Torr; Molecular sieve; Autoclave;

DOI:10.1002/chem.202102819

Refernces