2-(METHYLSULFANYL)-4(3H)-QUINAZOLINONE

Base Information

• Chemical Name: 2-(METHYLSULFANYL)-4(3H)-QUINAZOLINONE
• CAS No.: 54855-81-1
• Molecular Formula: C9H8N2OS
• Molecular Weight: 192.241
• Hs Code.: 2933990090
• Mol file: 54855-81-1.mol

Synonyms:2-(METHYLSULFANYL)-4(3H)-QUINAZOLINONE;2-METHYLSULFANYL-3H-QUINAZOLIN-4-ONE;2-(METHYLTHIO)QUINAZOLIN-4(1H)-ONE

Chemical Property of 2-(METHYLSULFANYL)-4(3H)-QUINAZOLINONE

Chemical Property:

• Vapor Pressure: 3.11E-05mmHg at 25°C
• Refractive Index: 1.685
• Boiling Point: 355.5°C at 760 mmHg
• Flash Point: 168.8°C
• PSA: 71.05000
• Density: 1.36g/cm³
• LogP: 1.64500

Purity/Quality:

NLT 98% ^*data from raw suppliers

2-(Methylthio)quinazolin-4(3H)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-(METHYLSULFANYL)-4(3H)-QUINAZOLINONE

There total 19 articles about 2-(METHYLSULFANYL)-4(3H)-QUINAZOLINONE 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%

2-thioxo-2,3-dihydro-1H-quinazolin-4-one (13906-09-7) + methyl iodide (74-88-4) → 2-methylthioquinazolin-4(3H)-one (54855-81-1)

Guidance literature:

With sodium hydroxide; In methanol; water; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.1021/acsinfecdis.7b00275

Reference yield: 88.0%

2-mercapto-3,4-dihydro-4-quinazolone (13906-09-7) + methyl iodide (74-88-4) → 4-hydroxy-2-methylthioquinazoline (54855-81-1)

Guidance literature:

In ethanol; Alkaline conditions;

DOI:10.1016/j.ejmech.2011.10.056

Reference yield: 82.0%

dimethyl sulfate (77-78-1) + 2-mercapto-3H-quinazolin-4-one (13906-09-7) → 2-methylthioquinazolin-4(3H)-one (54855-81-1)

Guidance literature:

In neat (no solvent); at 130 ℃; for 0.0833333h; Reagent/catalyst; Time; Temperature; Solvent; Sealed tube; Microwave irradiation; Green chemistry;

DOI:10.14233/ajchem.2013.13593

upstream raw materials:

2-thioxo-2,3-dihydro-1H-quinazolin-4-one

dimethyl sulfate

methyl iodide

2,4-bis(methylthio)quinazoline

Downstream raw materials:

2-anilinoquinazolin-4(3H)-one

3-Phenacylquinazoline-2,4-(1H,3H)-dione

2-(methylsulfanyl)-3-methyl-quinazolin-4(3H)-one

2-<(4-chloro-2-methylphenyl)amino>-4-quinazolinone

Refernces

• 1、 Murugesan, Dinakaran,Ray, Peter C.,Bayliss, Tracy,Prosser, Gareth A.,Harrison, Justin R.,Green, Kirsteen,Soares De Melo, Candice,Feng, Tzu-Shean,Street, Leslie J.,Chibale, Kelly,Warner, Digby F.,Mizrahi, Valerie,Epemolu, Ola,Scullion, Paul,Ellis, Lucy,Riley, Jennifer,Shishikura, Yoko,Ferguson, Liam,Osuna-Cabello, Maria,Read, Kevin D.,Green, Simon R.,Lamprecht, Dirk A.,Steyn, Adrie J. C.,Ioerger, Thomas R.,Sacchettini, Jim,Rhee, Kyu Y.,Arora, Kriti,Barry, Clifton E.,Wyatt, Paul G.,Boshoff, Helena I. M.. "2-Mercapto-Quinazolinones as Inhibitors of Type II NADH Dehydrogenase and Mycobacterium tuberculosis: Structure-Activity Relationships, Mechanism of Action and Absorption, Distribution, Metabolism, and Excretion Characterization". . p. 954 - 969. Retrieved 2018/06/14.
• 2、 Reddy, B. Srinivasa,Naidu,Dubey. "A green and facile synthesis of 2-alkylsulfanyl-3H-quinazolin-4-one". . p. 2644 - 2646. Retrieved 2013/05/09.