4-Chloro-2-(4-fluorophenyl)quinazoline

Base Information

• Chemical Name: 4-Chloro-2-(4-fluorophenyl)quinazoline
• CAS No.: 113242-33-4
• Molecular Formula: C₁₄H₈ClFN₂
• Molecular Weight: 258.682
• DSSTox Substance ID: DTXSID60406089
• Nikkaji Number: J410.767E
• Wikidata: Q82210967
• Mol file: 113242-33-4.mol

Synonyms:4-chloro-2-(4-fluorophenyl)quinazoline;113242-33-4;4-CHLORO-2-(4-FLUORO-PHENYL)-QUINAZOLINE;F9995-0287;SCHEMBL4840414;DTXSID60406089;CKOPPMRJZDRZBH-UHFFFAOYSA-N;AKOS000200070;AB19723;AT17381;4-Chloro-2-(4-fluorophenyl) quinazoline;EN300-67806;A803032

Chemical Property of 4-Chloro-2-(4-fluorophenyl)quinazoline

Chemical Property:

• Boiling Point: 297.8±32.0 °C(Predicted)
• PKA: 0.44±0.30(Predicted)
• PSA: 25.78000
• Density: 1.351±0.06 g/cm3(Predicted)
• LogP: 4.08930
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 258.0360041
• Heavy Atom Count: 18
• Complexity: 281

Purity/Quality:

97% ^*data from raw suppliers

4-Chloro-2-(4-fluorophenyl)quinazoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=C(C=C3)F)Cl

Technology Process of 4-Chloro-2-(4-fluorophenyl)quinazoline

There total 3 articles about 4-Chloro-2-(4-fluorophenyl)quinazoline 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:

anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) → 4-chloro-2-(4-fluorophenyl)quinazoline (113242-33-4)

Guidance literature:

Multi-step reaction with 3 steps

1: pyridine / 12.5 h / 20 °C / Cooling with ice

2: ammonium hydroxide / ethanol / 12 h / 80 °C / Sealed tube

3: thionyl chloride; N,N-dimethyl-formamide / 6 h / 50 °C

With pyridine; ammonium hydroxide; thionyl chloride; N,N-dimethyl-formamide; In ethanol;

DOI:10.1021/acs.jmedchem.6b01787

Reference yield:

4-fluorobenzoyl chloride (403-43-0) → 4-chloro-2-(4-fluorophenyl)quinazoline (113242-33-4)

Guidance literature:

Multi-step reaction with 3 steps

1: pyridine / 12.5 h / 20 °C / Cooling with ice

2: ammonium hydroxide / ethanol / 12 h / 80 °C / Sealed tube

3: thionyl chloride; N,N-dimethyl-formamide / 6 h / 50 °C

With pyridine; ammonium hydroxide; thionyl chloride; N,N-dimethyl-formamide; In ethanol;

DOI:10.1021/acs.jmedchem.6b01787

Reference yield:

→ 4-chloro-2-(4-fluorophenyl)quinazoline (113242-33-4)

Guidance literature:

upstream raw materials:

anthranilic acid

4-fluorobenzoyl chloride