(Anilinomethyl)-(4-fluorophenyl)-ketone

Base Information

Chemical Name:(Anilinomethyl)-(4-fluorophenyl)-ketone
CAS No.:31681-99-9
Molecular Formula:C14H12FNO
Molecular Weight:229.254
Hs Code.:
DSSTox Substance ID:DTXSID301267894
Nikkaji Number:J3.224.329K
Mol file:31681-99-9.mol

Synonyms:(anilinomethyl)-(4-fluorophenyl)-ketone;31681-99-9;SCHEMBL6201893;RAFHHIPJXWCXNC-UHFFFAOYSA-N;DTXSID301267894;1-(4-Fluorophenyl)-2-(phenylamino)ethanone

Suppliers and Price of (Anilinomethyl)-(4-fluorophenyl)-ketone

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of (Anilinomethyl)-(4-fluorophenyl)-ketone

Chemical Property:

XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:229.090292168
Heavy Atom Count:17
Complexity:243

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)NCC(=O)C2=CC=C(C=C2)F

Technology Process of (Anilinomethyl)-(4-fluorophenyl)-ketone

There total 4 articles about (Anilinomethyl)-(4-fluorophenyl)-ketone 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: 76.0%

: 62-53-3
aniline

: 403-29-2
2-bromo-4'-fluoroacetophenone

: 31681-99-9
1-(4-fluorophenyl)-2-(phenylamino)ethanone

Guidance literature:: In acetonitrile; at 20 ℃; for 48h; Schlenk technique; Inert atmosphere;
DOI:10.1021/acs.orglett.5b01281

Reference yield: 44.0%

: 62-53-3
aniline

: 456-04-2
2-Chloro-4'-fluoroacetophenone

: 31681-99-9
1-(4-fluorophenyl)-2-(phenylamino)ethanone

Guidance literature:: With sodium acetate;
DOI:10.1016/S0040-4039(00)98949-4

Reference yield:

: 403-42-9
1-(4-fluorophenyl)ethanone

: 31681-99-9
1-(4-fluorophenyl)-2-(phenylamino)ethanone

Guidance literature:: Multi-step reaction with 2 steps

1: N-Bromosuccinimide; toluene-4-sulfonic acid / acetonitrile / 24 h / 50 °C / Inert atmosphere

2: sodium hydrogencarbonate / ethanol / 12 h / 20 °C

With N-Bromosuccinimide; sodium hydrogencarbonate; toluene-4-sulfonic acid; In ethanol; acetonitrile;
DOI:10.1039/c7ob02012k