1-(6-Amino-2,3-dichlorophenyl)-2,2,2-trifluoroethan-1-one

Base Information

Chemical Name:1-(6-Amino-2,3-dichlorophenyl)-2,2,2-trifluoroethan-1-one
CAS No.:277301-96-9
Molecular Formula:C₈H₄Cl₂F₃NO
Molecular Weight:258.027
Hs Code.:
DSSTox Substance ID:DTXSID901209359

Synonyms:277301-96-9;1-(6-Amino-2,3-dichlorophenyl)-2,2,2-trifluoroethan-1-one;DTXSID901209359;1-(6-amino-2,3-dichlorophenyl)-2,2,2-trifluoroethanone

Suppliers and Price of 1-(6-Amino-2,3-dichlorophenyl)-2,2,2-trifluoroethan-1-one

Supply Marketing:

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

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Chemical Property of 1-(6-Amino-2,3-dichlorophenyl)-2,2,2-trifluoroethan-1-one

Chemical Property:

XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:256.9622036
Heavy Atom Count:15
Complexity:259

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC(=C(C(=C1N)C(=O)C(F)(F)F)Cl)Cl

Technology Process of 1-(6-Amino-2,3-dichlorophenyl)-2,2,2-trifluoroethan-1-one

There total 3 articles about 1-(6-Amino-2,3-dichlorophenyl)-2,2,2-trifluoroethan-1-one 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: 19.0%

: 1027304-45-5
[3,4-dichloro-2-(2,2,2-trifluoroethanone)phenyl]carbamic acid tert-butyl ester

: 277301-96-9
1-(2-amino-5,6-dichlorophenyl)-2,2,2-trifluoroethanone

Guidance literature:: With hydrogenchloride; In 1,4-dioxane; at 20 ℃; for 1.5h;
DOI:10.1021/jm990580e

Reference yield:

: 25217-40-7
(3,4-dichlorophenyl)carbamic acid tert-butyl ester

: 277301-96-9
1-(2-amino-5,6-dichlorophenyl)-2,2,2-trifluoroethanone

Guidance literature:: Multi-step reaction with 2 steps

1.1: t-BuLi; TMEDA / tetrahydrofuran / 2 h / -78 °C

1.2: 22 percent / tetrahydrofuran / -78 - 20 °C

2.1: 19 percent / HCl / dioxane / 1.5 h / 20 °C

With hydrogenchloride; N,N,N,N,-tetramethylethylenediamine; tert.-butyl lithium; In tetrahydrofuran; 1,4-dioxane; 1.1: Metallation / 1.2: Acylation / 2.1: Hydrolysis;
DOI:10.1021/jm990580e

Reference yield:

: 95-76-1
m,p-dichloroaniline

: 277301-96-9
1-(2-amino-5,6-dichlorophenyl)-2,2,2-trifluoroethanone

Guidance literature:: Multi-step reaction with 3 steps

1.1: sodium bis(trimethylsilyl)amide / tetrahydrofuran / 1.5 h / 20 °C

1.2: tetrahydrofuran / 3 h / 20 °C

2.1: t-BuLi; TMEDA / tetrahydrofuran / 2 h / -78 °C

2.2: 22 percent / tetrahydrofuran / -78 - 20 °C

3.1: 19 percent / HCl / dioxane / 1.5 h / 20 °C

With hydrogenchloride; N,N,N,N,-tetramethylethylenediamine; tert.-butyl lithium; sodium hexamethyldisilazane; In tetrahydrofuran; 1,4-dioxane; 1.1: Metallation / 1.2: Acylation / 2.1: Metallation / 2.2: Acylation / 3.1: Hydrolysis;
DOI:10.1021/jm990580e