4-Chloro-5-fluoroquinazoline

Base Information

• Chemical Name: 4-Chloro-5-fluoroquinazoline
• CAS No.: 16499-60-8
• Molecular Formula: C8H4 Cl F N2
• Molecular Weight: 182.585
• European Community (EC) Number: 844-627-5
• DSSTox Substance ID: DTXSID80474982
• Nikkaji Number: J2.944.358K
• Wikidata: Q82305183
• Mol file: 16499-60-8.mol

Synonyms:4-chloro-5-fluoroquinazoline;16499-60-8;5-fluoro-4-chloroquinazoline;SCHEMBL3276096;DTXSID80474982;NRVNUZHSKMEHOT-UHFFFAOYSA-N;MFCD08703154;AKOS006229344;PB41140;AC-36905;BS-13690;CS-0042907;FT-0760959;EN300-51539;A910867;Z727600806

Chemical Property of 4-Chloro-5-fluoroquinazoline

Chemical Property:

• Boiling Point: 284.9 °C at 760 mmHg
• PKA: 0.35±0.30(Predicted)
• Flash Point: 126.1 °C
• Density: 1.447 g/cm³
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 182.0047040
• Heavy Atom Count: 12
• Complexity: 167

Purity/Quality:

97% ^*data from raw suppliers

4-chloro-5-fluoroquinazoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C(=C1)F)C(=NC=N2)Cl

Technology Process of 4-Chloro-5-fluoroquinazoline

There total 6 articles about 4-Chloro-5-fluoroquinazoline 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: 99.0%

5-fluoroquinazolin-4(3H)-one (436-72-6) → 4-chloro-5-fluoro-quinazoline (16499-60-8)

Guidance literature:

With thionyl chloride; In DMF (N,N-dimethyl-formamide); at 80 ℃; for 6h;

Reference yield:

5-fluoroquinazolin-4(3H)-one (436-72-6) + 4-(6-chloro-2,3-methylenedioxyanilino)-5-fluoroquinazoline dihydrochloride → 4-chloro-5-fluoro-quinazoline (16499-60-8)

Guidance literature:

With triphenylphosphine;

Reference yield:

5-fluoroquinazolin-4(3H)-one (436-72-6) → C16H8F2N4O + 4-chloro-5-fluoro-quinazoline (16499-60-8)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; trichlorophosphate; In acetonitrile; at 15 - 90 ℃;

DOI:10.1021/jo102262k

upstream raw materials:

5-fluoroquinazolin-4(3H)-one

2-amino-6-fluorobenzonitrile

2-amino-6-fluorobenzamide

Downstream raw materials:

N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-fluoroquinazolin-4-amine

2-chloro-4-[(5-fluoroquinazolin-4-yl)amino]phenol

5-fluoro-N-{3-methyl-4-[(6-methylpyridin-3-yl)oxy]phenyl}quinazolin-4-amine

5-fluoro-N-[1-(3-fluorobenzyl)-1H-indazol-5-yl]quinazolin-4-amine