Nitromethaqualone

Base Information

• Chemical Name: Nitromethaqualone
• CAS No.: 340-52-3
• Molecular Formula: C16H13N3O4
• Molecular Weight: 311.297
• Hs Code.: 2933990090
• UNII: 7G855468ZM
• DSSTox Substance ID: DTXSID80187601
• Nikkaji Number: J73.095E
• Wikipedia: Nitromethaqualone
• Wikidata: Q7041485
• Mol file: 340-52-3.mol

Synonyms:2-methyl-3-(2'-methoxy-4'-nitrophenyl)-4(3H)-quinazolinone;nitromethaqualone

Chemical Property of Nitromethaqualone

Chemical Property:

• Vapor Pressure: 3.1E-11mmHg at 25°C
• Boiling Point: 528°Cat760mmHg
• Flash Point: 273.1°C
• PSA: 89.94000
• Density: 1.36g/cm³
• LogP: 3.13410
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 311.09060590
• Heavy Atom Count: 23
• Complexity: 516

Purity/Quality:

99% ^*data from raw suppliers

Nitromethaqualone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC2=CC=CC=C2C(=O)N1C3=C(C=C(C=C3)[N+](=O)[O-])OC
• Description: Nitromethaqualone (Item No. 21840) is an analytical reference standard categorized as a quinazolinone. This product is intended for research and forensic applications.

Technology Process of Nitromethaqualone

There total 6 articles about Nitromethaqualone 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: 70.0%

2-methoxy-4-nitrophenylamine (97-52-9) + o-acetylamino-benzoic acid (89-52-1) → 2-methyl-3-(2-methoxy-4-nitrophenyl)-4-quinazolone (340-52-3)

Guidance literature:

DOI:10.1002/jps.2600711019

Reference yield: 65.0%

2-methyl-4-oxo-3,1-benzoxazine (525-76-8) + 2-methoxy-4-nitrophenylamine (97-52-9) → 2-methyl-3-(2-methoxy-4-nitrophenyl)-4-quinazolone (340-52-3)

Guidance literature:

at 150 - 160 ℃; for 0.5h;

Reference yield:

o-acetylamino-benzoic acid (89-52-1) → 2-methyl-3-(2-methoxy-4-nitrophenyl)-4-quinazolone (340-52-3)

Guidance literature:

Multi-step reaction with 2 steps

2: methanol; diethyl ether / 0.5 h

In methanol; diethyl ether;

DOI:10.1002/jps.2600711019

upstream raw materials:

diazomethane

2-methyl-3-(2'-hydroxy-4'-nitrophenyl)-4(3H)-quinazolinone

2-methyl-4-oxo-3,1-benzoxazine

2-methoxy-4-nitrophenylamine

Downstream raw materials:

2-methyl-3-(2-methoxy-4-(4-methoxyphenyl)thiocarbamidophenyl)-4-quinazolone

2-methyl-3-(2-methoxy-4-(3-chlorophenyl)thiocarbamidophenyl)-4-quinazolone

2-methyl-3-(2-methoxy-4-(4-tolyl)thiocarbamidophenyl)-4-quinazolone

2-methyl-3-(2'-methoxy-4'-aminophenyl)-4(3H)-quinazolinone

Refernces

• 1、 Van Boven,Daenens. "Biotransformation and excretion of nitromethaqualone in rats and humans". . p. 1152 - 1157. Retrieved 2007/10/02.