Methaqualone

Base Information

• Chemical Name: Methaqualone
• CAS No.: 72-44-6
• Deprecated CAS: 93240-42-7
• Molecular Formula: C16H14N2O
• Molecular Weight: 250.3
• Hs Code.: 2933550011
• European Community (EC) Number: 200-780-4
• NSC Number: 631628,126877,111388
• UNII: 7ZKH8MQW6T
• DSSTox Substance ID: DTXSID7023279
• Nikkaji Number: J1.427C
• Wikipedia: Methaqualone
• Wikidata: Q423912
• NCI Thesaurus Code: C640
• Metabolomics Workbench ID: 67520
• ChEMBL ID: CHEMBL282052
• Mol file: 72-44-6.mol

Synonyms:Hydrochloride, Methaqualone;Methaqualone;Methaqualone Hydrochloride;Metolquizolone;Optimil;Ortonal;Quaalude

 This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.

Chemical Property of Methaqualone

Chemical Property:

• Vapor Pressure: 7.86E-07mmHg at 25°C
• Melting Point: 120ºC
• Refractive Index: 1.623
• Boiling Point: 406.9 °C at 760 mmHg
• PKA: pKa 2.54(H2O,t undefined,I=0.1) (Uncertain)
• Flash Point: 199.9 °C
• PSA: 34.89000
• Density: 1.16 g/cm³
• LogP: 3.00250
• Storage Temp.: −20°C
• Water Solubility.: 299.9mg/L(23 oC)
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 250.110613074
• Heavy Atom Count: 19
• Complexity: 390

Purity/Quality:

Safty Information:

• Pictogram(s): F,T
• Hazard Codes: F,T
• Statements: 11-23/24/25-39/23/24/25
• Safety Statements: 7-16-36/37-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)C
• Uses: A quinazoline sedative-hypnotic. Controlled substance.
• Therapeutic Function: Hypnotic

Technology Process of Methaqualone

There total 48 articles about Methaqualone 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: 98.0%

ethanol (64-17-5) + 2-amino-N-(2-methylphenyl)benzamide (4943-85-5) → methaqualone (72-44-6)

Guidance literature:

ethanol; With oxygen; eosin y; In dimethyl sulfoxide; at 25 ℃; for 20h; Sealed tube; Irradiation; Green chemistry;

2-amino-N-(2-methylphenyl)benzamide; With toluene-4-sulfonic acid; In dimethyl sulfoxide; at 25 ℃; for 24h; Reagent/catalyst; Wavelength; Temperature; Solvent; Sealed tube; Irradiation; Green chemistry;

Reference yield: 93.0%

2-amino-N-(2-methylphenyl)benzamide (4943-85-5) + acetylacetone (123-54-6,81235-32-7) → methaqualone (72-44-6)

Guidance literature:

With camphor-10-sulfonic acid; In water; at 100 ℃; for 16h; Green chemistry;

DOI:10.1039/c5ra17969f

Reference yield: 89.0%

2-methyl-3-(o-tolyl)-2,3-dihydro-4(1H)-quinazolinone (1773-01-9) → methaqualone (72-44-6)

Guidance literature:

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In dichloromethane; at 20 ℃; for 0.5h; Green chemistry;

DOI:10.1039/c6ra00855k

upstream raw materials:

o-toluidine

o-acetylamino-benzoic acid

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

C₁₆H₁₃LiN₂O

Downstream raw materials:

2-(2-thiophen-2-yl-vinyl)-3-o-tolyl-3H-quinazolin-4-one

(E)-2-phenacylidene-3-o-tolyl-1,2,3,4-tetrahydro-4-quinazolone

2-(diphenylmethyl)-3-o-tolyl-4(3H)-quinazolinone

2-benzyl-3-o-tolyl-4(3H)-quinazolinone

Refernces

• 1、 Kudale, Vishal Suresh,Wang, Jeh-Jeng. "Metal-free C-H methylation and acetylation of heteroarenes with PEG-400". . p. 3506 - 3511. Retrieved 2020/06/25.
• 2、 H?gele, Johannes S.,Hubner, Eva-Maria,Schmid, Martin G.. "Determination of the chiral status of different novel psychoactive substance classes by capillary electrophoresis and β-cyclodextrin derivatives". . p. 1191 - 1207. Retrieved 2020/07/21.