(2-Amino-5-fluorophenyl)(pyridin-4-yl)methanone

Base Information

Chemical Name:(2-Amino-5-fluorophenyl)(pyridin-4-yl)methanone
CAS No.:114995-64-1
Molecular Formula:C12H9FN2O
Molecular Weight:216.215
Hs Code.:
DSSTox Substance ID:DTXSID70556448
Wikidata:Q82438003
Mol file:114995-64-1.mol

Synonyms:114995-64-1;4-(2-Amino-5-fluorobenzoyl)pyridine;(2-Amino-5-fluorophenyl)(pyridin-4-yl)methanone;SCHEMBL344086;DTXSID70556448;BXQAHMJEWRCCMK-UHFFFAOYSA-N;(2-Amino-5-fluoro-phenyl)-pyridin-4-yl-methanone

Suppliers and Price of (2-Amino-5-fluorophenyl)(pyridin-4-yl)methanone

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
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price

Total 1 raw suppliers

Chemical Property of (2-Amino-5-fluorophenyl)(pyridin-4-yl)methanone

Chemical Property:

XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:216.06989108
Heavy Atom Count:16
Complexity:253

Purity/Quality:: 99.90% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=C(C=C1F)C(=O)C2=CC=NC=C2)N

Technology Process of (2-Amino-5-fluorophenyl)(pyridin-4-yl)methanone

There total 5 articles about (2-Amino-5-fluorophenyl)(pyridin-4-yl)methanone 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: 87.0%

: 114995-55-0
2-pivalamido-5-fluorophenyl 4-pyridyl ketone

: 114995-64-1
2-amino-5-fluorophenyl 4-pyridyl ketone

Guidance literature:: With hydrogenchloride; at 95 - 100 ℃;
DOI:10.1021/jo00250a019

Reference yield: 27.0%

: 100-48-1
pyridine-4-carbonitrile

: 371-40-4
4-fluoroaniline

: 114995-64-1
2-amino-5-fluorophenyl 4-pyridyl ketone

Guidance literature:: 4-fluoroaniline; With boron trichloride; In dichloromethane; Trichloroethylene; at 0 ℃; for 0.416667h;

pyridine-4-carbonitrile; aluminum (III) chloride; In dichloromethane; Trichloroethylene; at 0 - 160 ℃; for 5.5h; Heating / reflux;

With hydrogenchloride; sodium hydroxide; more than 3 stages;

Reference yield:

: 371-40-4
4-fluoroaniline

: 114995-64-1
2-amino-5-fluorophenyl 4-pyridyl ketone

Guidance literature:: Multi-step reaction with 4 steps

1: 92 percent / CHCl₃ / 1.) RT, 15 min, 2.) reflux, 3 h, 3.) RT, overnight

2: 1.) 3.2 M n-butyllithium / 1.) THF, hexane, 0 deg C, 2 h, 2.) RT, 4 h

3: 92 percent / chromium trioxide, pyridine / Ambient temperature

4: 87 percent / 6 M aq. hydrochloric acid / 95 - 100 °C

With pyridine; chromium(VI) oxide; hydrogenchloride; n-butyllithium; In chloroform;
DOI:10.1021/jo00250a019