1-(2-Iso-propylamino-pyrimidin-4-yl)-2-(4-fluoro-phenyl)-ethane-1,2-dione

Base Information

Chemical Name:1-(2-Iso-propylamino-pyrimidin-4-yl)-2-(4-fluoro-phenyl)-ethane-1,2-dione
CAS No.:876521-37-8
Molecular Formula:C15H14FN3O2
Molecular Weight:287.293
Hs Code.:
DSSTox Substance ID:DTXSID70479007
Nikkaji Number:J2.276.444F

Synonyms:876521-37-8;1-(2-iso-propylamino-pyrimidin-4-yl)-2-(4-fluoro-phenyl)-ethane-1,2-dione;1-(4-fluorophenyl)-2-(2-(isopropylamino)pyrimidin-4-yl)ethane-1,2-dione;SCHEMBL709768;DTXSID70479007;XCILLLGEGWZXDS-UHFFFAOYSA-N;FT-0720073

Suppliers and Price of 1-(2-Iso-propylamino-pyrimidin-4-yl)-2-(4-fluoro-phenyl)-ethane-1,2-dione

Supply Marketing:

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

Manufacturers and distributors:

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Chemicals and raw materials
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Total 1 raw suppliers

Chemical Property of 1-(2-Iso-propylamino-pyrimidin-4-yl)-2-(4-fluoro-phenyl)-ethane-1,2-dione

Chemical Property:

XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:287.10700486
Heavy Atom Count:21
Complexity:381

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)NC1=NC=CC(=N1)C(=O)C(=O)C2=CC=C(C=C2)F

Technology Process of 1-(2-Iso-propylamino-pyrimidin-4-yl)-2-(4-fluoro-phenyl)-ethane-1,2-dione

There total 5 articles about 1-(2-Iso-propylamino-pyrimidin-4-yl)-2-(4-fluoro-phenyl)-ethane-1,2-dione 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: 90.0%

: 876521-37-8
1-(2-iso-propylamino-pyrimidin-4-yl)-2-(4-fluoro-phenyl)-ethane-1,2-dione

Guidance literature:

Reference yield: 56.0%

: 876521-35-6
2-iso-propylamino-4-[(4-fluorophenyl)ethynyl]pyrimidine

: 876521-37-8
1-(2-iso-propylamino-pyrimidin-4-yl)-2-(4-fluoro-phenyl)-ethane-1,2-dione

Guidance literature:: With potassium permanganate; sodium hydrogencarbonate; magnesium sulfate; In water; acetone; at 20 ℃;
DOI:10.1021/ol052663x

Reference yield:

: 876521-34-5
2-iso-propylamino-4-ethynylpyrimidine

: 876521-37-8
1-(2-iso-propylamino-pyrimidin-4-yl)-2-(4-fluoro-phenyl)-ethane-1,2-dione

Guidance literature:: Multi-step reaction with 2 steps

1: triethylamine; CuI / Pd(PPh₃)2Cl₂ / tetrahydrofuran / 2.5 h / 20 °C

2: 56 percent / NaHCO₃; MgSO₄; KMnO₄ / H₂O; acetone / 20 °C

With potassium permanganate; copper(l) iodide; sodium hydrogencarbonate; magnesium sulfate; triethylamine; bis-triphenylphosphine-palladium(II) chloride; In tetrahydrofuran; water; acetone; 1: Sonogashira cross-coupling;
DOI:10.1021/ol052663x