N-(2,6-Dichloro-4-pyridinyl)-N'-[[3-(4-fluorophenyl)-3,4-dihydro-4-oxo-2-quinazolinyl]methyl]urea

Base Information

Chemical Name:N-(2,6-Dichloro-4-pyridinyl)-N'-[[3-(4-fluorophenyl)-3,4-dihydro-4-oxo-2-quinazolinyl]methyl]urea
CAS No.:330796-25-3
Molecular Formula:C₂₁H₁₄Cl₂FN₅O₂
Molecular Weight:458.279
Hs Code.:
DSSTox Substance ID:DTXSID301115699
ChEMBL ID:CHEMBL411846

Synonyms:CHEMBL411846;SCHEMBL1483883;DTXSID301115699;330796-25-3;N-(2,6-Dichloro-4-pyridinyl)-N'-[[3-(4-fluorophenyl)-3,4-dihydro-4-oxo-2-quinazolinyl]methyl]urea

Suppliers and Price of N-(2,6-Dichloro-4-pyridinyl)-N'-[[3-(4-fluorophenyl)-3,4-dihydro-4-oxo-2-quinazolinyl]methyl]urea

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

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Chemical Property of N-(2,6-Dichloro-4-pyridinyl)-N'-[[3-(4-fluorophenyl)-3,4-dihydro-4-oxo-2-quinazolinyl]methyl]urea

Chemical Property:

XLogP3:4.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:457.0508583
Heavy Atom Count:31
Complexity:693

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C2C(=C1)C(=O)N(C(=N2)CNC(=O)NC3=CC(=NC(=C3)Cl)Cl)C4=CC=C(C=C4)F

Technology Process of N-(2,6-Dichloro-4-pyridinyl)-N'-[[3-(4-fluorophenyl)-3,4-dihydro-4-oxo-2-quinazolinyl]methyl]urea

There total 6 articles about N-(2,6-Dichloro-4-pyridinyl)-N'-[[3-(4-fluorophenyl)-3,4-dihydro-4-oxo-2-quinazolinyl]methyl]urea 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: 96.0%

: 330796-23-1
2-aminomethyl-3-(4-fluoro-phenyl)-3H-quinazolin-4-one

: 159178-03-7
2,6-dichloro-4-isocyanatopyridine

: 330796-25-3
1-(2,6-dichloropyridin-4-yl)-3-[3-(4-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-2-ylmethyl]urea

Guidance literature:: In dichloromethane; at 20 ℃;
DOI:10.1021/jm070694n

Reference yield: 96.0%

: 2,6-dichloropyridyl isocyanate

: 330796-23-1
2-aminomethyl-3-(4-fluoro-phenyl)-3H-quinazolin-4-one

: 330796-25-3
1-(2,6-dichloropyridin-4-yl)-3-[3-(4-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-2-ylmethyl]urea

Guidance literature:: In chloroform;

Reference yield:

: 133010-41-0
2-(2-benzyloxycarbonylamino-acetylamino)-benzoic acid methyl ester

: 330796-25-3
1-(2,6-dichloropyridin-4-yl)-3-[3-(4-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-2-ylmethyl]urea

Guidance literature:: Multi-step reaction with 4 steps

1.1: lithium hydroxide; water / 1,4-dioxane

2.1: 1,1'-carbonyldiimidazole / tetrahydrofuran / 2 h

2.2: 75 °C

3.1: palladium 10% on activated carbon; hydrogen / methanol

4.1: chloroform

With palladium 10% on activated carbon; water; hydrogen; 1,1'-carbonyldiimidazole; lithium hydroxide; In tetrahydrofuran; 1,4-dioxane; methanol; chloroform;