4,5-Dichloroquinazoline

Base Information

• Chemical Name: 4,5-Dichloroquinazoline
• CAS No.: 2148-55-2
• Molecular Formula: C8H4Cl2N2
• Molecular Weight: 199.039
• Hs Code.: 2933990090
• NSC Number: 63434
• DSSTox Substance ID: DTXSID40289756
• Wikidata: Q82027213
• Mol file: 2148-55-2.mol

Synonyms:4,5-Dichloroquinazoline;2148-55-2;Quinazoline, 4,5-dichloro-;MFCD09909637;NSC63434;Quinazoline,4,5-dichloro-;NCIOpen2_000292;SCHEMBL8808732;DTXSID40289756;CAA14855;NSC 63434;NSC-63434;AKOS006280734;AC-2572;CS-11008;SY002174;CS-0142978;FT-0718915;EN300-90109;Z1157651620

Chemical Property of 4,5-Dichloroquinazoline

Chemical Property:

• Vapor Pressure: 0.00071mmHg at 25°C
• Melting Point: 131.5-133 °C
• Refractive Index: 1.67
• Boiling Point: 317.6 °C at 760 mmHg
• PKA: 0.12±0.30(Predicted)
• Flash Point: 175.3 °C
• PSA: 25.78000
• Density: 1.486 g/cm³
• LogP: 2.93660
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 197.9751535
• Heavy Atom Count: 12
• Complexity: 165

Purity/Quality:

99% ^*data from raw suppliers

4,5-Dichloroquinazoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4,5-Dichloroquinazoline

There total 3 articles about 4,5-Dichloroquinazoline 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: 65.8%

5-chloroquinazoline-4(3H)-one (60233-66-1) → 4,5-dichloroquinazoline (2148-55-2)

Guidance literature:

With triethylamine; trichlorophosphate; for 8h; Time; Reflux;

Reference yield:

2-chloro-6-aminobenzoic acid (2148-56-3) → 4,5-dichloroquinazoline (2148-55-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 6 h / 140 °C

2: trichlorophosphate; triethylamine / 8 h / Reflux

With triethylamine; trichlorophosphate;

Reference yield:

→ 4,5-dichloroquinazoline (2148-55-2)

Guidance literature:

5-Chlor-4-chinazolon, PCl5, POCl3, Δ;

upstream raw materials:

2-chloro-6-aminobenzoic acid

5-chloroquinazoline-4(3H)-one

Refernces

• 1、 -. "4-Amino quinazoline compound as well as preparation method and application thereof". . . Retrieved 2019/05/16.
• 2、 -. "A 4-N-substituted-5-chloriquine Trifluoromethylbiphenglyl compound and its preparation method and application". . . Retrieved 2017/01/19.