Quinazoline

Base Information

• Chemical Name: Quinazoline
• CAS No.: 253-82-7
• Molecular Formula: C8H6N2
• Molecular Weight: 130.149
• Hs Code.: 29339900
• European Community (EC) Number: 205-965-3
• NSC Number: 72372
• UNII: UB9QUR18NL
• DSSTox Substance ID: DTXSID7075214
• Nikkaji Number: J5.442I
• Wikipedia: Quinazoline
• Wikidata: Q426278
• Pharos Ligand ID: T2L8KQJGCG73
• Metabolomics Workbench ID: 55437
• ChEMBL ID: CHEMBL301359
• Mol file: 253-82-7.mol

Synonyms:Quinazoline;Quinazolines

Chemical Property of Quinazoline

Chemical Property:

• Appearance/Colour: Beige to brownish crystalline powder
• Vapor Pressure: 0.0545mmHg at 25°C
• Melting Point: 46-48 °C(lit.)
• Refractive Index: 1.653
• Boiling Point: 241.845 °C at 760 mmHg
• PKA: 3.43(at 20℃)
• Flash Point: 106.667 °C
• PSA: 25.78000
• Density: 1.183 g/cm³
• LogP: 1.62980
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: H2O: freely soluble
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 130.053098200
• Heavy Atom Count: 10
• Complexity: 114

Purity/Quality:

98% ^*data from raw suppliers

Quinazoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 22-24/25-36-26-23

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=NC=N2
• Uses: Quinazoline was used to study the electrochemical behaviour of quinazoline using modern polarographic and voltammetric methods. It is the basic structural unit of pharmaceuticals and plays an important role in modern synthesis of antitumor drugs. Quinazoline was used to study the electrochemical behaviour of quinazoline using modern polarographic and voltammetric methods.

Technology Process of Quinazoline

There total 71 articles about Quinazoline 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: 91.0%

4-(α-benzyl-α-hydroxybenzyl)quinazoline (187336-04-5) → phenyl benzyl ketone (451-40-1) + quinazoline (253-82-7)

Guidance literature:

With tetra-n-butylammonium cyanide; In tetrahydrofuran; for 1h; Heating;

DOI:10.1248/cpb.46.199

Reference yield: 88.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 2-amino-1-benzylamine (4403-69-4) → quinazoline (253-82-7)

Guidance literature:

With 3-nitropyridine; In acetonitrile; at 110 ℃; for 16h; Reagent/catalyst; Sealed tube;

DOI:10.1002/ejoc.201800746

Reference yield: 86.0%

2-anisyl-4-quinazolinyl ketone (55326-11-9) → quinazoline (253-82-7) + 2-Methoxybenzoic acid (579-75-9) + 4-(2-Methoxy-phenyl)-3,4-dihydro-quinazoline-4-carboxylic acid (99933-60-5)

Guidance literature:

With sodium hydroxide; In dimethyl sulfoxide; for 1h;

upstream raw materials:

3,4-dihydroquinazoline

ammonium acetate

o-aminobenzaldehyde

N,N'-(2-nitro-benzylidene)-bis-formamide

Downstream raw materials:

2,4-diaminoquinazoline

quinazoline-N-oxide

1,6-diisopropylidene-4,4,9,9-tetramethyl-4,4a,9,9a-tetrahydro-bis[1,3]oxazino[3,4-a;3',4'-c]quinazoline-3,8-dione

3-ethyl-2(1H)-quinolinone

Refernces

• 1、 Phatake, Vishal V.,Bhanage, Bhalchandra M.. "Cu@U-g-C3N4 Catalyzed Cyclization of o-Phenylenediamines for the Synthesis of Benzimidazoles by Using CO2 and Dimethylamine Borane as a Hydrogen Source". . p. 347 - 359. Retrieved 2018/11/23.
• 2、 Kumaran, Elumalai,Leong, Weng Kee. "Gold(0) catalyzed dehydrogenation of N-heterocycles". supporting information. p. 3958 - 3960. Retrieved 2018/10/02.