6-Methyl-2-phenylquinazoline

Base Information

• Chemical Name: 6-Methyl-2-phenylquinazoline
• CAS No.: 121910-86-9
• Molecular Formula: C15H12 N2
• Molecular Weight: 220.274
• DSSTox Substance ID: DTXSID20376431
• Nikkaji Number: J3.266.827E
• Wikidata: Q82165363
• Mol file: 121910-86-9.mol

Synonyms:6-methyl-2-phenylquinazoline;121910-86-9;Quinazoline,6-methyl-2-phenyl-;6-methyl-2-phenyl-quinazoline;2-Phenyl-6-methylquinazoline;SCHEMBL17691569;DTXSID20376431;AKOS015908900;FT-0711163

Chemical Property of 6-Methyl-2-phenylquinazoline

Chemical Property:

• Vapor Pressure: 0.0282mmHg at 25°C
• Melting Point: 130-132 °C(Solv: isopropyl ether (108-20-3))
• Refractive Index: 1.647
• Boiling Point: 254.1°Cat760mmHg
• PKA: 2.36±0.50(Predicted)
• Flash Point: 84.8°C
• PSA: 25.78000
• Density: 1.149g/cm³
• LogP: 3.60520
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 220.100048391
• Heavy Atom Count: 17
• Complexity: 247

Purity/Quality:

98%min ^*data from raw suppliers

6-METHYL-2-PHENYLQUINAZOLINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=CN=C(N=C2C=C1)C3=CC=CC=C3

Technology Process of 6-Methyl-2-phenylquinazoline

There total 28 articles about 6-Methyl-2-phenylquinazoline 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: 90.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + (Z)-N'-(4-methylphenyl)benzamidine (1859-00-3) → 6-methyl-2-phenylquinazoline (121910-86-9)

Guidance literature:

With boron trifluoride diethyl etherate; oxygen; potassium carbonate; In dimethyl sulfoxide; at 140 ℃; for 24h; Sealed tube;

DOI:10.1039/c6gc02319c

Reference yield: 87.0%

2-amino-5-methylbenzyl alcohol (34897-84-2) + benzaldehyde (100-52-7) → 6-methyl-2-phenylquinazoline (121910-86-9)

Guidance literature:

With [2,2]bipyridinyl; ammonium cerium (IV) nitrate; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; cesium hydroxide; oxygen; copper(l) chloride; In acetonitrile; at 30 - 60 ℃; for 48h; under 760.051 Torr; Schlenk technique;

DOI:10.3390/molecules181113860

Reference yield: 86.0%

2-amino-5-methylbenzyl alcohol (34897-84-2) + benzonitrile (100-47-0) → 6-methyl-2-phenylquinazoline (121910-86-9)

Guidance literature:

With (6,8,15,17-tetramethyldibenzo[b,i][1,4,8,11]-tetraazacyclotetradecinato)nickel(II); potassium tert-butylate; In 5,5-dimethyl-1,3-cyclohexadiene; at 100 ℃; for 24h; Inert atmosphere; Schlenk technique; Green chemistry;

DOI:10.1021/acs.joc.8b01479

upstream raw materials:

6-methyl-2-phenyl-quinazoline-4-carboxylic acid

4-(2-methyl-1-propenyl)morpholine

S,S-dimethyl-N-sulfimide

1-(N-morpholino)cyclopent-1-ene

Refernces

• 1、 Zhang, Shi-Qi,Cui, Yao,Guo, Bin,Young, David J.,Xu, Ze,Li, Hong-Xi. "Efficient synthesis of quinazolines by the iron-catalyzed acceptorless dehydrogenative coupling of (2-aminophenyl)methanols and benzamides". . . Retrieved 2020/12/13.
• 2、 Lu, Jia-Ming,Huo, Yong-Wang,Qi, Xinxin,Wu, Xiao-Feng. "Palladium-catalyzed carbonylative synthesis of quinazolines: Silane act as better nucleophile than amidine". . . Retrieved 2021/05/31.