4,7-Dichloro-6-nitroquinazoline

Base Information

• Chemical Name: 4,7-Dichloro-6-nitroquinazoline
• CAS No.: 162012-71-7
• Molecular Formula: C8H3Cl2N3O2
• Molecular Weight: 244.037
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID20440803
• Nikkaji Number: J1.755.046B
• Wikidata: Q72467172
• Mol file: 162012-71-7.mol

Synonyms:4,7-Dichloro-6-nitroquinazoline;162012-71-7;4,7-dichloro-6-nitro-quinazoline;6-nitro-4,7-dichloro-quinazoline;Quinazoline, 4,7-dichloro-6-nitro-;SCHEMBL1469486;DTXSID20440803;VHFFODQAQLNACY-UHFFFAOYSA-N;AKOS016011451;AC-25020;CS-0336960;FT-0738810;A883028

Chemical Property of 4,7-Dichloro-6-nitroquinazoline

Chemical Property:

• Boiling Point: 411.039 °C at 760 mmHg
• PKA: 0.53±0.70(Predicted)
• Flash Point: 202.389 °C
• PSA: 71.60000
• Density: 1.674 g/cm³
• LogP: 3.36800
• Storage Temp.: 2-8°C
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 242.9602317
• Heavy Atom Count: 15
• Complexity: 261

Purity/Quality:

99% ^*data from raw suppliers

4,7-Dichloro-6-nitroquinazoline 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C2C(=CC(=C1[N+](=O)[O-])Cl)N=CN=C2Cl

Technology Process of 4,7-Dichloro-6-nitroquinazoline

There total 9 articles about 4,7-Dichloro-6-nitroquinazoline 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%

7-chloro-6-nitro-4(3H)-quinazolinone (53449-14-2) → 4,7-dichloro-6-nitro-quinazoline (162012-71-7)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; for 1h; Heating;

DOI:10.1021/jm9503613

Reference yield: 81.0%

→ 4,7-dichloro-6-nitro-quinazoline (162012-71-7)

Guidance literature:

Reference yield:

7-Chloro-6-nitro-quinazolin-4-one (53449-14-2) + phosphorus pentachloride (10026-13-8,874483-75-7) → 4,7-dichloro-6-nitro-quinazoline (162012-71-7)

Guidance literature:

With trichlorophosphate;

upstream raw materials:

7-chloro-6-nitro-4(3H)-quinazolinone

7-chloro-3,4-dihydroquinazolin-4-one

2-amino-4-chlorobenzamide

7-Chloro-6-nitro-quinazolin-4-one

Downstream raw materials:

(7-chloro-6-nitro-quinazolin-4-yl)-(2-methoxy-benzyl)-amine

(7-chloro-6-nitro-quinazolin-4-yl)-(4-nitro-benzyl)-amine

7-chloro-4-(4-chloro-2-fluoroanilino)-6-nitroquinazoline hydrochloride

1-(7-(4-methylpiperazin-1-yl)-4-(5-(pyridin-3-yl)-1,3,4-oxadiazol-2-ylthio)quinazolin-6-yl)-3-phenylurea

Refernces

• 1、 -. "Synthesis of alkylamino quinazolines and anti-tumor activity thereof". Paragraph 0060-0062; 0065. . Retrieved 2021/09/08.
• 2、 -. "Quinazoline derivatives". Paragraph 0121. . Retrieved 2016/08/23.