N-[(1-Oxo-1lambda~5~-pyridin-4-yl)methyl]-4-(trifluoromethyl)benzamide

Base Information

Chemical Name:N-[(1-Oxo-1lambda~5~-pyridin-4-yl)methyl]-4-(trifluoromethyl)benzamide
CAS No.:77502-49-9
Molecular Formula:C14H11F3N2O2
Molecular Weight:296.249
Hs Code.:
DSSTox Substance ID:DTXSID20512256
Wikidata:Q82371423

Synonyms:77502-49-9;DTXSID20512256;N-[(1-Oxo-1lambda~5~-pyridin-4-yl)methyl]-4-(trifluoromethyl)benzamide

Suppliers and Price of N-[(1-Oxo-1lambda~5~-pyridin-4-yl)methyl]-4-(trifluoromethyl)benzamide

Supply Marketing:

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

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Chemical Property of N-[(1-Oxo-1lambda~5~-pyridin-4-yl)methyl]-4-(trifluoromethyl)benzamide

Chemical Property:

XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:296.07726208
Heavy Atom Count:21
Complexity:347

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C(=O)NCC2=CC=[N+](C=C2)[O-])C(F)(F)F

Technology Process of N-[(1-Oxo-1lambda~5~-pyridin-4-yl)methyl]-4-(trifluoromethyl)benzamide

There total 3 articles about N-[(1-Oxo-1lambda~5~-pyridin-4-yl)methyl]-4-(trifluoromethyl)benzamide 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: 80.0%

: 56913-70-3
N-pyridin-4-ylmethyl-4-trifluoromethyl-benzamide

: 77502-49-9
N-(1-Oxy-pyridin-4-ylmethyl)-4-trifluoromethyl-benzamide

Guidance literature:: With dihydrogen peroxide; In acetic acid; at 80 ℃;
DOI:10.1002/jhet.5570180707

Reference yield:

: 3731-53-1
4-(aminomethyl)pyridine

: 77502-49-9
N-(1-Oxy-pyridin-4-ylmethyl)-4-trifluoromethyl-benzamide

Guidance literature:: Multi-step reaction with 2 steps

1: dicyclohexylcarbodiimide / acetonitrile / 24 h / Ambient temperature

2: 80 percent / hydrogen peroxide (40 percent) / acetic acid / 80 °C

With dihydrogen peroxide; dicyclohexyl-carbodiimide; In acetic acid; acetonitrile;
DOI:10.1002/jhet.5570180707

Reference yield:

: 455-24-3
4-trifluoromethylbenzoic acid

: 77502-49-9
N-(1-Oxy-pyridin-4-ylmethyl)-4-trifluoromethyl-benzamide

Guidance literature:: Multi-step reaction with 2 steps

1: dicyclohexylcarbodiimide / acetonitrile / 24 h / Ambient temperature

2: 80 percent / hydrogen peroxide (40 percent) / acetic acid / 80 °C

With dihydrogen peroxide; dicyclohexyl-carbodiimide; In acetic acid; acetonitrile;
DOI:10.1002/jhet.5570180707