4-Phenylsulfanylquinazoline

Base Information

• Chemical Name: 4-Phenylsulfanylquinazoline
• CAS No.: 6344-76-9
• Molecular Formula: C14H10 N2 S
• Molecular Weight: 238.313
• Hs Code.: 2933990090
• NSC Number: 51331
• DSSTox Substance ID: DTXSID40287494
• Nikkaji Number: J1.099.844A
• Wikidata: Q82023558
• ChEMBL ID: CHEMBL1400437
• Mol file: 6344-76-9.mol

Synonyms:4-phenylsulfanylquinazoline;6344-76-9;NSC51331;MLS000736680;4-(phenylsulfanyl)quinazoline;CHEMBL1400437;REGID_for_CID_242571;DTXSID40287494;NSC-51331;SMR000446804;EN300-7539841

Chemical Property of 4-Phenylsulfanylquinazoline

Chemical Property:

• Vapor Pressure: 1.07E-06mmHg at 25°C
• Boiling Point: 414.5°C at 760 mmHg
• Flash Point: 204.5°C
• PSA: 51.08000
• Density: 1.29g/cm³
• LogP: 3.78100
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 238.05646950
• Heavy Atom Count: 17
• Complexity: 240

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)SC2=NC=NC3=CC=CC=C32

Technology Process of 4-Phenylsulfanylquinazoline

There total 9 articles about 4-Phenylsulfanylquinazoline 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: 93.0%

4-Hydroxyquinazoline (491-36-1) + thiophenol (108-98-5) → 4-phenylsulfanyl-quinazoline (6344-76-9)

Guidance literature:

With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; at 20 ℃; for 10h;

DOI:10.1021/ol060815y DOI:10.1021/jo7020373

Reference yield: 87.0%

4-(1H-benzo[d][1,2,3]triazol-1-yloxy)quinazoline (897930-10-8) + thiophenol (108-98-5) → 4-phenylsulfanyl-quinazoline (6344-76-9)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; at 20 ℃;

DOI:10.1021/jo7020373

Reference yield: 85.0%

phenylmagnesium bromide (100-58-3) + 4-thiocyanatoquinazoline (21802-54-0) → 4-phenylsulfanyl-quinazoline (6344-76-9)

Guidance literature:

In tetrahydrofuran; at 0 ℃; for 1h;

upstream raw materials:

4-chloroquinazoline

thiophenol

phenylmagnesium bromide

4-thiocyanatoquinazoline

Downstream raw materials:

4-chloroquinazoline

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