1,1,1,3,3,3-HEXAFLUOROISOPROPYL BENZOATE

Base Information

• Chemical Name: 1,1,1,3,3,3-HEXAFLUOROISOPROPYL BENZOATE
• CAS No.: 10315-85-2
• Molecular Formula: C10H6 F6 O2
• Molecular Weight: 272.147
• Hs Code.: 2916310090
• Mol file: 10315-85-2.mol

Synonyms:2-Propanol,1,1,1,3,3,3-hexafluoro-, benzoate (8CI,9CI); 1,1,1,3,3,3-Hexafluoro-2-propylbenzoate; NSC 254060

Chemical Property of 1,1,1,3,3,3-HEXAFLUOROISOPROPYL BENZOATE

Chemical Property:

• Vapor Pressure: 0.722mmHg at 25°C
• Boiling Point: 184.7°Cat760mmHg
• Flash Point: 47.7°C
• PSA: 26.30000
• Density: 1.406g/cm³
• LogP: 3.33660

Purity/Quality:

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

1,1,1,3,3,3-Hexafluoroisopropyl benzoate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1,1,1,3,3,3-HEXAFLUOROISOPROPYL BENZOATE

There total 7 articles about 1,1,1,3,3,3-HEXAFLUOROISOPROPYL BENZOATE 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: 94.0%

1,1,1,3',3',3'-hexafluoro-propanol (920-66-1) + benzoyl chloride (98-88-4) → 1,1,1,3,3,3-hexafluoropropan-2-yl benzoate (10315-85-2)

Guidance literature:

With pyridine; In dichloromethane; at 0 - 20 ℃; for 2h; Inert atmosphere; Schlenk technique;

DOI:10.1055/s-0037-1611709

Reference yield: 85.0%

1,1,1,3',3',3'-hexafluoro-propanol (920-66-1) + benzyl alcohol (100-51-6,185532-71-2) → 1,1,1,3,3,3-hexafluoropropan-2-yl benzoate (10315-85-2)

Guidance literature:

benzyl alcohol; With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; trichloroisocyanuric acid; In dichloromethane; at 0 ℃;

1,1,1,3',3',3'-hexafluoro-propanol; With pyridine; In dichloromethane; at 0 - 20 ℃; for 10h;

DOI:10.1055/s-0034-1381056

Reference yield:

1,1,1,3',3',3'-hexafluoro-propanol (920-66-1) + benzoyl chloride (98-88-4) → 1,1,1,3,3,3-hexafluoropropan-2-yl benzoate (10315-85-2) + benzoic acid (65-85-0,8013-63-6)

Guidance literature:

With water; at 25 ℃; Rate constant; Product distribution;

DOI:10.1039/P29850000983

upstream raw materials:

benzaldehyde

Hexafluoroacetone

1,1,1,3',3',3'-hexafluoro-propanol

benzoyl chloride

Downstream raw materials:

2-benzoyloxy-1,1,3,3,3-pentafluoropropene

N-benzylbenzamide

N-phenyl benzoyl amide

Refernces

• 1、 Mai, Binh Khanh,Koenigs, Rene M.,Nguyen, Thanh Vinh,Lyons, Demelza J.M.,Empel, Claire,Pace, Domenic P.,Dinh, An H.. "Tropolonate salts as acyl-transfer catalysts under thermal and photochemical conditions: Reaction scope and mechanistic insights". . p. 12596 - 12606. Retrieved 2020/11/18.
• 2、 Zell, Thomas,Ben-David, Yehoshoa,Milstein, David. "Unprecedented iron-catalyzed ester hydrogenation. Mild, selective, and efficient hydrogenation of trifluoroacetic esters to alcohols catalyzed by an iron pincer complex". supporting information. p. 4685 - 4689. Retrieved 2014/05/20.