4-Chloro-8-nitroquinazoline

Base Information

• Chemical Name: 4-Chloro-8-nitroquinazoline
• CAS No.: 19815-18-0
• Molecular Formula: C8H4 Cl N3 O2
• Molecular Weight: 209.592
• Hs Code.: 2933990090
• European Community (EC) Number: 834-931-6
• DSSTox Substance ID: DTXSID30466514
• Wikidata: Q82293088
• Mol file: 19815-18-0.mol

Synonyms:4-Chloro-8-nitroquinazoline;19815-18-0;4-chloro-8-nitro-quinazoline;Quinazoline,4-chloro-8-nitro-;QUINAZOLINE,4-CHLORO-8-NITRO;SCHEMBL2098010;Quinazoline, 4-chloro-8-nitro-;DTXSID30466514;YNIKQCKETYIRTH-UHFFFAOYSA-N;AKOS015909126;AB44031;CS-0308747;FT-0705958;EN300-1301287;Z1269186703

Chemical Property of 4-Chloro-8-nitroquinazoline

Chemical Property:

• Melting Point: 197-197.5 °C
• Boiling Point: 367.4±27.0 °C(Predicted)
• PKA: 0.08±0.50(Predicted)
• PSA: 71.60000
• Density: 1.566±0.06 g/cm3(Predicted)
• LogP: 2.71460
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 208.9992041
• Heavy Atom Count: 14
• Complexity: 233

Purity/Quality:

97% ^*data from raw suppliers

QUINAZOLINE,4-CHLORO-8-NITRO 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C(=C1)[N+](=O)[O-])N=CN=C2Cl

Technology Process of 4-Chloro-8-nitroquinazoline

There total 5 articles about 4-Chloro-8-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: 60.0%

8-nitroquinazolin-4(1H)-one → 4-chloro-8-nitroquinazoline (19815-18-0)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; trichlorophosphate; In chlorobenzene; at 10 - 90 ℃; for 5h;

DOI:10.1016/j.bmcl.2016.08.076

Reference yield: 59.63%

8-nitroquinazoline-4(3H)-one (53638-54-3) → 4-chloro-8-nitroquinazoline (19815-18-0)

Guidance literature:

8-nitroquinazoline-4(3H)-one; With trichlorophosphate; In N,N-dimethyl-aniline; at 0 - 65 ℃; for 1.5h;

With sodium hydrogencarbonate;

Reference yield:

3-nitroanthranilic acid (606-18-8) → 4-chloro-8-nitroquinazoline (19815-18-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 2-methoxy-ethanol / 24 h / Heating

2: phosphorus oxychloride; phosphorus pentachloride; formamide / 3 h / Heating

With phosphorus pentachloride; formamide; trichlorophosphate; In 2-methoxy-ethanol;

DOI:10.1021/jm0492958

upstream raw materials:

8-nitroquinazoline-4(3H)-one

8-nitroquinazolin-4-ol

3-nitroanthranilic acid

Downstream raw materials:

3,4-dihydro-quinazolin-8-ylamine

quinazolin-8-ylamine

4-methoxy-quinazolin-8-ylamine

4-methyl-N'-(8-nitroquinazolin-4-yl)benzene-1-sulfonohydrazide