Methyl Pentafluorobenzoate

Base Information

• Chemical Name: Methyl Pentafluorobenzoate
• CAS No.: 36629-42-2
• Molecular Formula: C8H3F5O2
• Molecular Weight: 226.103
• Hs Code.: 29163990
• Mol file: 36629-42-2.mol

Synonyms:Benzoicacid, pentafluoro-, methyl ester (9CI);Methyl pentafluorobenzoate;

Chemical Property of Methyl Pentafluorobenzoate

Chemical Property:

• Appearance/Colour: clear colorless to light yellow liquid
• Vapor Pressure: 0.1mmHg at 25°C
• Refractive Index: n20/D 1.431(lit.)
• Boiling Point: 222.7 °C at 760 mmHg
• Flash Point: 78.3 °C
• PSA: 26.30000
• Density: 1.523 g/cm³
• LogP: 2.16870
• Storage Temp.: 2-8°C

Purity/Quality:

99.9% ^*data from raw suppliers

Methyl pentafluorobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,F
• Hazard Codes: Xi,F
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-28-24/25-23

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Uses: Methyl pentafluorobenzoate was used in preparation of photocoupling agent, based on perfluorophenylazide (PFPA)-conjugated polyallylamine, for efficient immobilization of polymers, nanoparticles, graphene and small molecules. It was also used in preparation of photoactive reagent N-hydroxysuccinimide (NHS)-PFPA.

Technology Process of Methyl Pentafluorobenzoate

There total 10 articles about Methyl Pentafluorobenzoate 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: 98.0%

methanol (67-56-1) + pentafluorobenzoylchloride (2251-50-5) → methyl pentafluorobenzoate (36629-42-2)

Guidance literature:

for 1h; Heating;

DOI:10.1021/jm011032f

Reference yield: 96.0%

methanol (67-56-1) + Pentafluorobenzoic acid (602-94-8) → methyl pentafluorobenzoate (36629-42-2)

Guidance literature:

With sulfuric acid; In tetrachloromethane; Heating;

DOI:10.1021/jo00298a048

Reference yield: 86.0%

1,6-heptadiene (3070-53-9) → methyl pentafluorobenzoate (36629-42-2) + 2-pentafluorophenylmethyl-hept-6-enoic acid methyl ester + (E)-8-Pentafluorophenyl-oct-3-enoic acid methyl ester

Guidance literature:

With carbon monoxide; sodium methylate; In methanol; dichloromethane; at -30.15 ℃; for 0.833333h; Title compound not separated from byproducts;

DOI:10.1016/S0040-4020(98)00852-7

upstream raw materials:

methanol

Pentafluorobenzoic acid

pentafluorobenzoylchloride

ethanol

Downstream raw materials:

Methyl-2,3,4,5-tetrafluor-6-phenylbenzoat

pentafluorobenzohydrazide

C₈HF₅N₂OS

C₁₁H₃F₅N₂OS

Refernces

• 1、 -. "DERIVATIVES OF AN FGFR INHIBITOR". Paragraph 0224-0225. . Retrieved 2021/06/11.
• 2、 Senaweera, Sameera M.,Singh, Anuradha,Weaver, Jimmie D.. "Photocatalytic hydrodefluorination: Facile access to partially fluorinated aromatics". supporting information. p. 3002 - 3005. Retrieved 2014/03/21.