2,5-Dichloroquinazoline

Base Information

• Chemical Name: 2,5-Dichloroquinazoline
• CAS No.: 445041-29-2
• Molecular Formula: C₈H₄Cl₂N₂
• Molecular Weight: 199.039
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID10697081
• Wikidata: Q82626903
• Mol file: 445041-29-2.mol

Synonyms:2,5-Dichloroquinazoline;445041-29-2;2,5-DICHLORO-QUINAZOLINE;SCHEMBL7699099;DTXSID10697081;MFCD17215769;AKOS016009246;DS-4389;CS-0019189;FT-0759366;O10611

Chemical Property of 2,5-Dichloroquinazoline

Chemical Property:

• Boiling Point: 287.6±22.0 °C(Predicted)
• PKA: -0.49±0.30(Predicted)
• PSA: 25.78000
• Density: 1.486±0.06 g/cm3(Predicted)
• LogP: 2.93660
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°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:

98%Min ^*data from raw suppliers

2,5-Dichloroquinazoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=NC(=NC=C2C(=C1)Cl)Cl

Technology Process of 2,5-Dichloroquinazoline

There total 4 articles about 2,5-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:

5-chloroquinazolin-2-ol (60610-16-4) → 2,5-dichloroquinazoline (445041-29-2)

Guidance literature:

With trichlorophosphate; at 110 ℃; for 3h;

Reference yield:

5-chloroquinazolin-2(1H)-one (60610-16-4) → 2,5-dichloroquinazoline (445041-29-2)

Guidance literature:

With trichlorophosphate; at 110 ℃; for 3h;

Reference yield:

2-amino-6-chlorobenzaldehyde (35490-90-5) → 2,5-dichloroquinazoline (445041-29-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 3 h / 180 °C

2: trichlorophosphate / 3 h / 110 °C

With trichlorophosphate;

upstream raw materials:

5-chloroquinazolin-2-ol

2-amino-6-chlorobenzaldehyde

5-chloroquinazolin-2(1H)-one

Refernces

• 1、 -. "NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS". Page/Page column 185. . Retrieved 2011/12/02.