4-Trifluoromethyl-2-borono-benzoic acid isopropyl ester

Base Information

Chemical Name:4-Trifluoromethyl-2-borono-benzoic acid isopropyl ester
CAS No.:444993-18-4
Molecular Formula:C11H12BF3O4
Molecular Weight:276.02
Hs Code.:
DSSTox Substance ID:DTXSID301160632

Synonyms:4-trifluoromethyl-2-borono-benzoic acid isopropyl ester;444993-18-4;SCHEMBL7249540;DTXSID301160632;(2-(Isopropoxycarbonyl)-5-(trifluoromethyl)phenyl)boronic acid;2-(propan-2-yloxycarbonyl)-5-trifluoromethylphenylboronic acid;Benzoic acid, 2-borono-4-(trifluoromethyl)-, 1-(1-methylethyl) ester

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

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Chemical Property of 4-Trifluoromethyl-2-borono-benzoic acid isopropyl ester

Chemical Property:

Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:276.0780735
Heavy Atom Count:19
Complexity:320

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:B(C1=C(C=CC(=C1)C(F)(F)F)C(=O)OC(C)C)(O)O

Technology Process of 4-Trifluoromethyl-2-borono-benzoic acid isopropyl ester

There total 2 articles about 4-Trifluoromethyl-2-borono-benzoic acid isopropyl ester 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: 66.0%

: 5419-55-6
Triisopropyl borate

: 444993-17-3
4-trifluoromethyl-benzoic acid isopropyl ester

: 444993-18-4
2-(prop-2-yloxycarbonyl)-5-trfluoromethylphenylboronic acid

Guidance literature:: Triisopropyl borate; 4-trifluoromethyl-benzoic acid isopropyl ester; With lithium diisopropyl amide; In tetrahydrofuran; n-heptane; ethylbenzene; at 0 ℃; for 2h;

With hydrogenchloride; water; In tetrahydrofuran; diethyl ether; n-heptane; ethylbenzene; at 22 ℃; for 1.5h;

Reference yield:

: 329-15-7
4-trifluoromethyl-phenyl acetyl chloride

: 444993-18-4
2-(prop-2-yloxycarbonyl)-5-trfluoromethylphenylboronic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: triethylamine / 4 h / 22 °C

2.1: lithium diisopropyl amide / tetrahydrofuran; n-heptane; ethylbenzene / 2 h / 0 °C

2.2: 1.5 h / 22 °C

With triethylamine; lithium diisopropyl amide; In tetrahydrofuran; n-heptane; ethylbenzene;