2,4-Dichloro-7-(trifluoromethyl)quinazoline

Base Information

• Chemical Name: 2,4-Dichloro-7-(trifluoromethyl)quinazoline
• CAS No.: 396-02-1
• Molecular Formula: C9H3Cl2F3N2
• Molecular Weight: 267.037
• Hs Code.: 2933990090
• Mol file: 396-02-1.mol

Synonyms:Quinazoline, 2,4-dichloro-7-(trifluoromethyl)-;

Chemical Property of 2,4-Dichloro-7-(trifluoromethyl)quinazoline

Chemical Property:

• Vapor Pressure: 0.152mmHg at 25°C
• Refractive Index: 1.571
• Boiling Point: 222.3 °C at 760 mmHg
• PKA: -1.54±0.30(Predicted)
• Flash Point: 88.3 °C
• PSA: 25.78000
• Density: 1.595 g/cm³
• LogP: 3.95540
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

2,4-Dichloro-7-(trifluoromethyl)quinazoline 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2,4-Dichloro-7-(trifluoromethyl)quinazoline

There total 9 articles about 2,4-Dichloro-7-(trifluoromethyl)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: 100.0%

7-(trifluoromethyl)quinazoline-2,4(1H,3H)-dione (3833-78-1) → 2,4-dichloro-7-(trifluoromethyl)quinazoline (396-02-1)

Guidance literature:

With phosphorus pentachloride; trichlorophosphate; for 4h; Reflux; Inert atmosphere;

DOI:10.1016/j.tetlet.2013.05.131

Reference yield: 24.0%

7-trifluoromethyl-quinazoline-2,4-diol (3833-78-1) → 2,4-dichloro-7-(trifluoromethyl)quinazoline (396-02-1)

Guidance literature:

With trichlorophosphate; at 105 ℃; for 15h; Inert atmosphere;

Reference yield:

2-nitro-4-trifluoromethyl-benzonitrile (778-94-9) → 2,4-dichloro-7-(trifluoromethyl)quinazoline (396-02-1)

Guidance literature:

Multi-step reaction with 4 steps

1: hydrogen bromide / Inert atmosphere

2: palladium 10% on activated carbon; hydrogen / methanol / 12 h / 20 °C / 3800.26 Torr

3: 4 h / 160 - 180 °C / Inert atmosphere

4: phosphorus pentachloride; trichlorophosphate / 4 h / Reflux; Inert atmosphere

With phosphorus pentachloride; palladium 10% on activated carbon; hydrogen bromide; hydrogen; trichlorophosphate; In methanol;

DOI:10.1002/ejoc.201200118

upstream raw materials:

2-amino-4-trifluoromethylbenzoic acid

urea

phosphorus pentachloride

7-(trifluoromethyl)quinazoline-2,4(1H,3H)-dione

Downstream raw materials:

2-chloro-7-(trifluoromethyl)quinazolin-4(3H)-one

2-[(1R,2R)-2-(dimethylamino)cyclohexylamino]-7-(trifluoromethyl)quinazolin-4(3H)-one

2-[(1R,2R)-2-(diethylamino)cyclohexylamino]-7-(trifluoromethyl)quinazolin-4(3H)-one

2-[(1R,2R)-2-(dipropylamino)cyclohexylamino]-7-(trifluoromethyl)quinazolin-4(3H)-one

Refernces

• 1、 -. "DIACYLGLYCEROL KINASE MODULATING COMPOUNDS". Paragraph 1252-1253. . Retrieved 2021/07/02.
• 2、 -. "AMIDO COMPOUNDS AS AhR MODULATORS". Paragraph 0448. . Retrieved 2019/02/06.