2-[(2,4-difluorophenyl)methyl]-5-fluoro-1H-pyrimidin-6-one

Base Information

Chemical Name:2-[(2,4-difluorophenyl)methyl]-5-fluoro-1H-pyrimidin-6-one
CAS No.:139161-56-1
Molecular Formula:C₁₁H₇F₃N₂O
Molecular Weight:240.185
Hs Code.:
DSSTox Substance ID:DTXSID401194042

Synonyms:139161-56-1;SCHEMBL8139045;DTXSID401194042;2-[(2,4-Difluorophenyl)methyl]-5-fluoro-4(3H)-pyrimidinone

Suppliers and Price of 2-[(2,4-difluorophenyl)methyl]-5-fluoro-1H-pyrimidin-6-one

Supply Marketing:

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

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Chemical Property of 2-[(2,4-difluorophenyl)methyl]-5-fluoro-1H-pyrimidin-6-one

Chemical Property:

XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:240.05104734
Heavy Atom Count:17
Complexity:381

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC(=C(C=C1F)F)CC2=NC=C(C(=O)N2)F

Technology Process of 2-[(2,4-difluorophenyl)methyl]-5-fluoro-1H-pyrimidin-6-one

There total 2 articles about 2-[(2,4-difluorophenyl)methyl]-5-fluoro-1H-pyrimidin-6-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: 50.0%

: diethyl sodium (Z)-3-ethoxy-2-fluoro-3-oxoprop-1-en-1-olate

: 139161-55-0
2-(2,4-difluorophenyl)-acetamidine hydrochloride

: 139161-56-1
2-(2,4-Difluorobenzyl)-5-fluoro-4-hydroxypyrimidine

Guidance literature:: With triethylamine; In methanol; for 23h; Heating;
DOI:10.1021/jm960207w

Reference yield:

: 656-35-9
(2,4-difluorophenyl)acetonitrile

: 139161-56-1
2-(2,4-Difluorobenzyl)-5-fluoro-4-hydroxypyrimidine

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) HCl, 2.) NH₃ / 1.) EtOH, a) from 0 deg C to RT, b) RT, 72 h, 2.) EtOH, RT, 3 h

2: 50 percent / Et₃N / methanol / 23 h / Heating

With hydrogenchloride; ammonia; triethylamine; In methanol;
DOI:10.1021/jm960207w

Reference yield:

: 87-13-8
diethyl 2-ethoxymethylenemalonate

: 139161-56-1
2-(2,4-Difluorobenzyl)-5-fluoro-4-hydroxypyrimidine

: 139161-61-8
3-(2,4-Difluorophenyl)-2-ethoxy-3-(5-fluoro-4-hydroxypyrimidin-2-yl)propane-1,1-dicarboxylic acid diethyl ester

Guidance literature:: With n-butyllithium; Multistep reaction; 1.) THF, hexane, -78 deg C, 30 min, 2.) THF, hexane, -78 deg C, 30 min;
DOI:10.1021/jm960207w