Methyl 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzoate

Base Information

Chemical Name:Methyl 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzoate
CAS No.:51114-06-8
Molecular Formula:C11H7F7O2
Molecular Weight:304.164
Hs Code.:
DSSTox Substance ID:DTXSID40896348
Nikkaji Number:J3.547.393I
Wikidata:Q82872695

Synonyms:methyl 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzoate;51114-06-8;SCHEMBL5360433;DTXSID40896348;UHKOUSSBPLTBCB-UHFFFAOYSA-N;NS00110444

Suppliers and Price of Methyl 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 0 raw suppliers

Chemical Property of Methyl 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzoate

Chemical Property:

XLogP3:4.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:3
Exact Mass:304.03342660
Heavy Atom Count:20
Complexity:339

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC(=O)C1=CC=C(C=C1)C(C(F)(F)F)(C(F)(F)F)F

Technology Process of Methyl 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzoate

There total 5 articles about Methyl 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)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: 75.0%

: 2396-23-8
1-bromo-4-(perfluoropropan-2-yl)benzene

: 51114-06-8
methyl 4-(perfluoropropan-2-yl)benzoate

Guidance literature:: With potassium carbonate; dichlorobis(triphenylphosphine)palladium[II]; In methanol;

Reference yield: 70.0%

: 619-44-3
methyl 4-iodobenzoate

: Zn⁽²⁺⁾*2C₃F₇^(1-)*2C₃H₇NO

: 51114-06-8
methyl 4-(perfluoropropan-2-yl)benzoate

Guidance literature:: With copper(I) thiophene-2-carboxylate; In N,N-dimethyl-formamide; at 90 ℃; for 7h; Inert atmosphere;
DOI:10.1021/jacs.1c03760

Reference yield: 58.0%

: 116-15-4,13429-24-8,25120-07-4,6792-31-0
perfluoropropylene

: 99768-12-4
4-methoxycarbonylphenylboronic acid

: 51114-06-8
methyl 4-(perfluoropropan-2-yl)benzoate

Guidance literature:: With copper (I) acetate; In N,N-dimethyl-formamide; at 20 ℃; Inert atmosphere; Schlenk technique; Molecular sieve;
DOI:10.1039/c5cc07616a