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

Base Information

Chemical Name:1-(2-Amino-5-methylphenyl)-2,2,2-trifluoroethanone
CAS No.:205756-35-0
Molecular Formula:C9H8 F3 N O
Molecular Weight:203.164
Hs Code.:2922390090
DSSTox Substance ID:DTXSID10593337
Wikidata:Q82487799
Mol file:205756-35-0.mol

Synonyms:205756-35-0;1-(2-Amino-5-methylphenyl)-2,2,2-trifluoroethanone;1-(2-Amino-5-methylphenyl)-2,2,2-trifluoroethan-1-one;Ethanone, 1-(2-amino-5-methylphenyl)-2,2,2-trifluoro-;SCHEMBL7002505;1-(2-Amino-5-methyl-phenyl)-2,2,2-trifluoro-ethanone;DTXSID10593337;SB78114;DB-328385;CS-0215879;EN300-305283;G73029;2'-Amino-5'-methyl-2,2,2-trifluoroacetophenone

Suppliers and Price of 1-(2-Amino-5-methylphenyl)-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-methylphenyl)-2,2,2-trifluoroethanone 95+%
1g
$ 535.00

Chemenu
1-(2-amino-5-methylphenyl)-2,2,2-trifluoroethan-1-one 95%
1g
$ 505.00

American Custom Chemicals Corporation
1-(2-AMINO-5-METHYLPHENYL)-2,2,2-TRIFLUOROETHANONE 95.00%
5MG
$ 505.05

Alichem
1-(2-Amino-5-methylphenyl)-2,2,2-trifluoroethanone
1g
$ 453.44

AK Scientific
1-(2-Amino-5-methylphenyl)-2,2,2-trifluoroethanone
10g
$ 6737.00

AK Scientific
1-(2-Amino-5-methylphenyl)-2,2,2-trifluoroethanone
100mg
$ 955.00

Total 9 raw suppliers

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

Chemical Property:

PSA：43.09000
LogP:2.90340
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:203.05579836
Heavy Atom Count:14
Complexity:227

Purity/Quality:

99%+ ^*data from raw suppliers

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=C(C=C1)N)C(=O)C(F)(F)F

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

There total 6 articles about 1-(2-Amino-5-methylphenyl)-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: 93.0%

: 205756-34-9
2,2-Dimethyl-N-[4-methyl-2-(2,2,2-trifluoro-acetyl)-phenyl]-propionamide

: 205756-35-0
1-(2-amino-5-methylphenyl)-2,2,2-trifluoroethanone

Guidance literature:: With hydrogenchloride; In 1,2-dimethoxyethane; for 3h; Heating;
DOI:10.1016/S0960-894X(99)00486-2

Reference yield:

: 21354-40-5
2,2-dimethyl-N-(4-methylphenyl)propanamide

: 205756-35-0
1-(2-amino-5-methylphenyl)-2,2,2-trifluoroethanone

Guidance literature:: Multi-step reaction with 2 steps

1.1: N,N,N,N,-tetramethylethylenediamine; n-butyllithium / hexane; tert-butyl methyl ether / 6 h / -20 - 15 °C

1.2: 16 h / -25 - 20 °C

2.1: hydrogenchloride / water / 16 h / 20 - 90 °C

With hydrogenchloride; n-butyllithium; N,N,N,N,-tetramethylethylenediamine; In hexane; tert-butyl methyl ether; water;
DOI:10.1021/acs.joc.7b01235

Reference yield:

: 29289-13-2
2-iodo-4-methylaniline

: 205756-35-0
1-(2-amino-5-methylphenyl)-2,2,2-trifluoroethanone

Guidance literature:: Multi-step reaction with 3 steps

1.1: 96 percent / TEA / CH₂Cl₂ / 3 h / 25 °C

2.1: n-BuLi / tetrahydrofuran / 0.5 h / -78 °C

2.2: 13 percent / tetrahydrofuran

3.1: 93 percent / 6 N aq. HCl / 1,2-dimethoxy-ethane / 3 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