1-(2-Amino-5-methoxyphenyl)-2,2,2-trifluoroethanone

Base Information

Chemical Name:1-(2-Amino-5-methoxyphenyl)-2,2,2-trifluoroethanone
CAS No.:205756-71-4
Molecular Formula:C9H8 F3 N O2
Molecular Weight:219.163
Hs Code.:2922500090
DSSTox Substance ID:DTXSID30467263
Nikkaji Number:J1.189.091A
Wikidata:Q82294087
Mol file:205756-71-4.mol

Synonyms:205756-71-4;1-(2-amino-5-methoxyphenyl)-2,2,2-trifluoroethanone;1-(2-Amino-5-methoxyphenyl)-2,2,2-trifluoroethan-1-one;2'-Amino-5'-methoxy-2,2,2-trifluoroacetophenone;Ethanone, 1-(2-amino-5-methoxyphenyl)-2,2,2-trifluoro-;1-(2-amino-5-methoxy-phenyl)-2,2,2-trifluoro-ethanone;DTXSID30467263;JBFAEZUOEIPYMP-UHFFFAOYSA-N;AT33368;SB79475;1-(2-amino-5-methoxyphenyl)-2, 2, 2-trifluoroethanone;Ethanone, 1-(2-amino-5-methoxyphenyl)-2,2,2-trifluoro- (9CI)

Suppliers and Price of 1-(2-Amino-5-methoxyphenyl)-2,2,2-trifluoroethanone

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

Crysdot
1-(2-Amino-5-methoxyphenyl)-2,2,2-trifluoroethanone 95+%
1g
$ 491.00

Chemenu
1-(2-amino-5-methoxyphenyl)-2,2,2-trifluoroethan-1-one 95%
1g
$ 464.00

Alichem
1-(2-Amino-5-methoxyphenyl)-2,2,2-trifluoroethanone
1g
$ 417.04

Total 7 raw suppliers

Chemical Property of 1-(2-Amino-5-methoxyphenyl)-2,2,2-trifluoroethanone

Chemical Property:

PSA：52.32000
LogP:2.60360
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:219.05071298
Heavy Atom Count:15
Complexity:242

Purity/Quality:

97% ^*data from raw suppliers

1-(2-Amino-5-methoxyphenyl)-2,2,2-trifluoroethanone 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC(=C(C=C1)N)C(=O)C(F)(F)F

Technology Process of 1-(2-Amino-5-methoxyphenyl)-2,2,2-trifluoroethanone

There total 3 articles about 1-(2-Amino-5-methoxyphenyl)-2,2,2-trifluoroethanone 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:

: N-[4-Methoxy-2-(2,2,2-trifluoro-acetyl)-phenyl]-2,2-dimethyl-propionamide

: 205756-71-4
1-(2-amino-5-methoxyphenyl)-2,2,2-trifluoroethanone

Guidance literature:: With hydrogenchloride; In 1,2-dimethoxyethane; for 2h; Heating;
DOI:10.1016/S0960-894X(99)00486-2

Reference yield:

: 56619-94-4
4-methoxy-N-pivaloylaniline

: 205756-71-4
1-(2-amino-5-methoxyphenyl)-2,2,2-trifluoroethanone

Guidance literature:: Multi-step reaction with 2 steps

1.1: n-BuLi / tetrahydrofuran / 1.5 h / -78 - 0 °C

1.2: tetrahydrofuran

2.1: 6 N aq. HCl / 1,2-dimethoxy-ethane / 2 h / Heating

With hydrogenchloride; n-butyllithium; In tetrahydrofuran; 1,2-dimethoxyethane; 1.1: Metallation / 1.2: Acylation / 2.1: amide cleavage;
DOI:10.1016/S0960-894X(99)00486-2

Reference yield:

: 104-94-9
4-methoxy-aniline

: 205756-71-4
1-(2-amino-5-methoxyphenyl)-2,2,2-trifluoroethanone

Guidance literature:: Multi-step reaction with 3 steps

1.1: TEA / CH₂Cl₂ / 3 h / 0 - 25 °C

2.1: n-BuLi / tetrahydrofuran / 1.5 h / -78 - 0 °C

2.2: tetrahydrofuran

3.1: 6 N aq. HCl / 1,2-dimethoxy-ethane / 2 h / Heating

With hydrogenchloride; n-butyllithium; TEA; In tetrahydrofuran; 1,2-dimethoxyethane; dichloromethane; 1.1: Acylation / 2.1: Metallation / 2.2: Acylation / 3.1: amide cleavage;
DOI:10.1016/S0960-894X(99)00486-2