2,4-Dichloro-8-fluoroquinazoline

Base Information

• Chemical Name: 2,4-Dichloro-8-fluoroquinazoline
• CAS No.: 959237-64-0
• Molecular Formula: C8H3Cl2FN2
• Molecular Weight: 217.03
• Hs Code.: 2933998090
• DSSTox Substance ID: DTXSID20438220
• Wikidata: Q72466343
• Mol file: 959237-64-0.mol

Synonyms:2,4-dichloro-8-fluoroquinazoline;959237-64-0;MFCD09954886;2,4-dichloro-8-fluoro-quinazoline;SCHEMBL8225421;DTXSID20438220;VXSUTXKJWJUPLJ-UHFFFAOYSA-N;AMY15071;AKOS015897247;CS-W003702;SB13558;2,5-Dimethyl-3-thiophenesulfonylchloride;AS-30782;SY007267;FT-0753628;EN300-3253334;A858775;J-507172;Z1269172192

Chemical Property of 2,4-Dichloro-8-fluoroquinazoline

Chemical Property:

• Vapor Pressure: 0.00772mmHg at 25°C
• Refractive Index: 1.644
• Boiling Point: 277.3 °C at 760 mmHg
• Flash Point: 121.5 °C
• PSA: 25.78000
• Density: 1.571 g/cm³
• LogP: 3.07570
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 215.9657317
• Heavy Atom Count: 13
• Complexity: 193

Purity/Quality:

99% ^*data from raw suppliers

2,4-dichloro-8-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)N=C(N=C2Cl)Cl

Technology Process of 2,4-Dichloro-8-fluoroquinazoline

There total 3 articles about 2,4-Dichloro-8-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:

potassium cyanate (590-28-3) + 3-fluoroanthranilic acid (825-22-9) → 2,4-dichloro-8-fluoroquinazoline (959237-64-0)

Guidance literature:

potassium cyanate; 3-fluoroanthranilic acid; With acetic acid; In water; at 35 ℃; for 3h;

With N,N-dimethyl-aniline; trichlorophosphate; at 130 ℃; for 5h;

Reference yield:

3-fluoroanthranilic acid (825-22-9) → 2,4-dichloro-8-fluoroquinazoline (959237-64-0)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. AcOH / 2 h

2: POCl₃, N,N-diethylaniline / 5 h / Heating

With acetic acid; N,N-diethylaniline; trichlorophosphate;

DOI:10.1021/jm00014a027

Reference yield:

8-fluoroquinazoline-2,4(1H,3H)-dione (959236-96-5) → 2,4-dichloro-8-fluoroquinazoline (959237-64-0)

Guidance literature:

With N,N-diethylaniline; trichlorophosphate; for 5h; Heating;

DOI:10.1021/jm00014a027

upstream raw materials:

8-fluoroquinazoline-2,4(1H,3H)-dione

3-fluoroanthranilic acid

potassium cyanate

Downstream raw materials:

2-N-(3-(4-(2,3-dichlorophenyl)piperazin-1-yl)propyl)-8-fluoro-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine

2-chloro-8-fluoro-N-methyl-N-phenylquinazolin-4-amine

Refernces

• 1、 -. "ADENOSINE A2A RECEPTOR ANTAGONISTS". Page/Page column 10. . Retrieved 2008/12/04.