Cambridge id 7196426

Base Information

• Chemical Name: Cambridge id 7196426
• CAS No.: 560130-43-0
• Molecular Formula: C₁₆H₁₂ClN₃O₃
• Molecular Weight: 329.743
• DSSTox Substance ID: DTXSID101166703
• Mol file: 560130-43-0.mol

Synonyms:Cambridge id 7196426;DTXSID101166703;SR-01000254192;SR-01000254192-1;4-(3-Chlorophenyl)-3,4-dihydro-5-nitro-6-phenyl-2(1H)-pyrimidinone;4-(3-chlorophenyl)-5-nitro-6-phenyl-3,4-di-hydropyrimidin-2(1h)-one;560130-43-0

Chemical Property of Cambridge id 7196426

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 329.0567189
• Heavy Atom Count: 23
• Complexity: 511

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=C(C(NC(=O)N2)C3=CC(=CC=C3)Cl)[N+](=O)[O-]

Technology Process of Cambridge id 7196426

There total 2 articles about Cambridge id 7196426 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:

m-Chlorobenzaldehyde (587-04-2) → 4-(m-chlorophenyl)-5-nitro-6-phenyl-3,4-dihydro-(1H)-pyrimidin-2-one (560130-43-0)

Guidance literature:

Multi-step reaction with 2 steps

1: conc. HCl / propan-2-ol

2: conc. HCl / propan-2-ol / Heating

With hydrogenchloride; In isopropyl alcohol;

DOI:10.1023/A:1020864220253

Reference yield:

2-nitroacetophenone (614-21-1) + [1-(3-Chloro-phenyl)-meth-(E)-ylidene]-urea; hydrochloride → 4-(m-chlorophenyl)-5-nitro-6-phenyl-3,4-dihydro-(1H)-pyrimidin-2-one (560130-43-0)

Guidance literature:

With hydrogenchloride; In isopropyl alcohol; Heating;

DOI:10.1023/A:1020864220253

Reference yield: 70.0%

4-(m-chlorophenyl)-5-nitro-6-phenyl-3,4-dihydro-(1H)-pyrimidin-2-one (560130-43-0) → 4-(3-chlorophenyl)-5-nitro-6-phenylpyrimidin-2(1H)-one

Guidance literature:

4-(m-chlorophenyl)-5-nitro-6-phenyl-3,4-dihydro-(1H)-pyrimidin-2-one; With bromine; In acetic acid; for 1h; Heating;

With pyridine; In methanol; for 4h; Heating;

DOI:10.1007/s11178-005-0180-4

upstream raw materials:

2-nitroacetophenone

m-Chlorobenzaldehyde