3-(2-Chlorophenyl)-6-fluoro-2-[(2-fluoroanilino)methyl]quinazolin-4-one

Base Information

Chemical Name:3-(2-Chlorophenyl)-6-fluoro-2-[(2-fluoroanilino)methyl]quinazolin-4-one
CAS No.:217942-71-7
Molecular Formula:C₂₁H₁₄ClF₂N₃O
Molecular Weight:397.811
Hs Code.:
DSSTox Substance ID:DTXSID20432708
Nikkaji Number:J1.562.646A
Wikidata:Q72456948
ChEMBL ID:CHEMBL298877
Mol file:217942-71-7.mol

Synonyms:217942-71-7;3-(2-chlorophenyl)-6-fluoro-2-[(2-fluoroanilino)methyl]quinazolin-4-one;3-(2-CHLOROPHENYL)-6-FLUORO-2-[[(2-FLUOROPHENYL)AMINO]METHYL]-4(3H)-QUINAZOLINONE;CHEMBL298877;SCHEMBL6216580;DTXSID20432708;CRTCTLBOOPUUJU-UHFFFAOYSA-N;2-(2-Fluoroanilinomethyl)-3-(2-chlorophenyl)-6-fluoroquinazoline-4(3H)-one;3-(2-Chloro-phenyl)-6-fluoro-2-[(2-fluoro-phenylamino)-methyl]-3H-quinazolin-4-one

Suppliers and Price of 3-(2-Chlorophenyl)-6-fluoro-2-[(2-fluoroanilino)methyl]quinazolin-4-one

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 3-(2-Chlorophenyl)-6-fluoro-2-[(2-fluoroanilino)methyl]quinazolin-4-one

Chemical Property:

Melting Point:179-180℃
Density:1.37
XLogP3:5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:397.0793461
Heavy Atom Count:28
Complexity:604

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C(=C1)NCC2=NC3=C(C=C(C=C3)F)C(=O)N2C4=CC=CC=C4Cl)F

Technology Process of 3-(2-Chlorophenyl)-6-fluoro-2-[(2-fluoroanilino)methyl]quinazolin-4-one

There total 4 articles about 3-(2-Chlorophenyl)-6-fluoro-2-[(2-fluoroanilino)methyl]quinazolin-4-one 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: 69.0%

: 348-54-9
2-Fluoroaniline

: 217942-80-8
3-(2-chlorophenyl)-6-fluoro-3,4-dihydroquinazolin-4-one-2-carboxaldehyde

: 217942-71-7
3-(2-chloro-phenyl)-6-fluoro-2-[(2-fluoro-phenylamino)-methyl]-3H-quinazolin-4-one

Guidance literature:: 2-Fluoroaniline; 3-(2-chlorophenyl)-6-fluoro-3,4-dihydroquinazolin-4-one-2-carboxaldehyde; With magnesium sulfate; In methanol; for 3h; Heating;

With sodium tris(acetoxy)borohydride; sodium cyanoborohydride; In methanol; for 18h; Further stages.;
DOI:10.1021/jm000522p

Reference yield:

aqueous bicarbonate: aqueous bicarbonate

: 348-54-9
2-Fluoroaniline

: 217942-80-8
3-(2-chlorophenyl)-6-fluoro-3,4-dihydroquinazolin-4-one-2-carboxaldehyde

: 217942-71-7
3-(2-chloro-phenyl)-6-fluoro-2-[(2-fluoro-phenylamino)-methyl]-3H-quinazolin-4-one

Guidance literature:: With sodium cyanoborohydride; acetic acid; In methanol; ethyl acetate;

Reference yield:

: 49579-12-6
3-(2-chloro-phenyl)-6-fluoro-2-methyl-3H-quinazolin-4-one

: 217942-71-7
3-(2-chloro-phenyl)-6-fluoro-2-[(2-fluoro-phenylamino)-methyl]-3H-quinazolin-4-one

Guidance literature:: Multi-step reaction with 3 steps

1.1: 90 percent / dimethylformamide / 24 h / 140 °C

2.1: 97 percent / NaIO₄ / tetrahydrofuran; H₂O / 1 h / 20 °C / pH 7

3.1: MgSO₄ / methanol / 3 h / Heating

3.2: 69 percent / sodium triacetoxyborohydride; sodium cyanoborohydride / methanol / 18 h

With sodium periodate; magnesium sulfate; In tetrahydrofuran; methanol; water; N,N-dimethyl-formamide;
DOI:10.1021/jm000522p