Methylmethaqualone

Base Information

• Chemical Name: Methylmethaqualone
• CAS No.: 1915-80-6
• Molecular Formula: C17H16N2O
• Molecular Weight: 0
• Hs Code.: 2933990090
• UNII: 842OA0464Q
• DSSTox Substance ID: DTXSID00172675
• Nikkaji Number: J48.188B
• Wikipedia: Methylmethaqualone
• Wikidata: Q13570332
• Metabolomics Workbench ID: 123663
• ChEMBL ID: CHEMBL1577701
• Mol file: 1915-80-6.mol

Synonyms:3-(2,4-dimethylphenyl)-2-methylquinazolin-4(3H)-one;methylmethaqualone

Chemical Property of Methylmethaqualone

Chemical Property:

• Vapor Pressure: 9.95E-08mmHg at 25°C
• Boiling Point: 433.8°C at 760 mmHg
• Flash Point: 216.2°C
• PSA: 34.89000
• Density: 1.14g/cm³
• LogP: 3.31090
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 264.126263138
• Heavy Atom Count: 20
• Complexity: 417

Purity/Quality:

99% ^*data from raw suppliers

Methylmethaqualone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)C)C
• Uses: Methylmethaqualone is an analogue of methaqualone that has similar sedative and hypnotic properties to its parent compound (resulting from its agonist activity at the β subtype of the GABAA receptor), and is around the same potency.

Technology Process of Methylmethaqualone

There total 4 articles about Methylmethaqualone 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: 73.0%

3-(2,4-dimethylphenyl)-4-(3H)quinazolinone (24122-43-8) → 3-(2,4-dimethylphenyl)-2-methylquinazolin-4(3H)-one (1915-80-6)

Guidance literature:

With p-toluenesulfonic acid monohydrate; oxygen; at 110 ℃; Sealed tube; Green chemistry;

DOI:10.1039/d0gc01183e

Reference yield: 69.0%

2-amino-N-(2,4-dimethylphenyl)benzamide (21132-02-5) → 3-(2,4-dimethylphenyl)-2-methylquinazolin-4(3H)-one (1915-80-6)

Guidance literature:

With p-toluenesulfonic acid monohydrate; oxygen; at 110 ℃; Sealed tube; Green chemistry;

DOI:10.1039/d0gc01183e

Reference yield: 35.0%

→ 3-(2,4-dimethylphenyl)-2-methylquinazolin-4(3H)-one (1915-80-6)

Guidance literature:

upstream raw materials:

2-amino-N-(2,4-dimethylphenyl)benzamide

3-(2,4-dimethylphenyl)-4-(3H)quinazolinone