1,1-Dimethylethyl 4-[bis(2-hydroxyethyl)amino]-2,3,5-trifluorobenzoate

Base Information

Chemical Name:1,1-Dimethylethyl 4-[bis(2-hydroxyethyl)amino]-2,3,5-trifluorobenzoate
CAS No.:863562-11-2
Molecular Formula:C₁₅H₂₀F₃NO₄
Molecular Weight:335.323
Hs Code.:
DSSTox Substance ID:DTXSID801154169

Synonyms:DTXSID801154169;1,1-Dimethylethyl 4-[bis(2-hydroxyethyl)amino]-2,3,5-trifluorobenzoate;863562-11-2

Suppliers and Price of 1,1-Dimethylethyl 4-[bis(2-hydroxyethyl)amino]-2,3,5-trifluorobenzoate

Supply Marketing:

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

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Chemical Property of 1,1-Dimethylethyl 4-[bis(2-hydroxyethyl)amino]-2,3,5-trifluorobenzoate

Chemical Property:

XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:335.13444261
Heavy Atom Count:23
Complexity:385

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C)OC(=O)C1=CC(=C(C(=C1F)F)N(CCO)CCO)F

Technology Process of 1,1-Dimethylethyl 4-[bis(2-hydroxyethyl)amino]-2,3,5-trifluorobenzoate

There total 2 articles about 1,1-Dimethylethyl 4-[bis(2-hydroxyethyl)amino]-2,3,5-trifluorobenzoate 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: 40.0%

: 863562-08-7
tert-butyl 2,3,4,5-tetrafluorobenzoate

: 111-42-2
2,2'-iminobis[ethanol]

: 863562-11-2
tert-butyl 4-[bis(2-hydroxyethyl)amino]-2,3,5-trifluorobenzoate

Guidance literature:: In N,N-dimethyl acetamide; at 90 ℃; for 84h;
DOI:10.1021/jm0502182

Reference yield:

: 94695-48-4
2,3,4,5-tetrafluorobenzoyl chloride

: 863562-11-2
tert-butyl 4-[bis(2-hydroxyethyl)amino]-2,3,5-trifluorobenzoate

Guidance literature:: Multi-step reaction with 2 steps

1: 43 percent / tetrahydrofuran / 2 h / 0 - 20 °C

2: 40 percent / N,N-dimethyl-acetamide / 84 h / 90 °C

In tetrahydrofuran; N,N-dimethyl acetamide;
DOI:10.1021/jm0502182