4,4'-Biquinazoline

Base Information

• Chemical Name: 4,4'-Biquinazoline
• CAS No.: 963-80-4
• Molecular Formula: C16H10N4
• Molecular Weight: 258.282
• DSSTox Substance ID: DTXSID40357904
• Nikkaji Number: J1.485.752D
• Wikidata: Q82138090
• ChEMBL ID: CHEMBL4988614

Synonyms:4,4'-Biquinazoline;963-80-4;4,4'-biquinazolinyl;SCHEMBL3075421;CHEMBL4988614;DTXSID40357904;AKOS033106762

Chemical Property of 4,4'-Biquinazoline

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 258.090546336
• Heavy Atom Count: 20
• Complexity: 302

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=NC=N2)C3=NC=NC4=CC=CC=C43

Technology Process of 4,4'-Biquinazoline

There total 4 articles about 4,4'-Biquinazoline 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: 65.0%

3-benzoyl-3,4-dihydro-4-(4-quinazolinyl)-4-quinazolinecarbonitrile (98512-49-3) → 4,4'-biquinazolinyl (963-80-4) + benzoic acid (65-85-0,8013-63-6)

Guidance literature:

With sodium hydroxide; In methanol; for 0.5h;

Reference yield: 60.0%

4-cyano-3-(4-chlorobutyryl)-3,4-dihydroquinazoline (104548-10-9) → quinazoline (253-82-7) + 4,4'-biquinazolinyl (963-80-4)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; for 2h; Ambient temperature;

Reference yield: 25.0%

1,8-naphthyridine (254-60-4) + quinazoline (253-82-7) → 2,2'-bi(1,8-naphthyridine) (69110-33-4) + 4-(1,8-naphthyridin-2-yl)quinazoline + 4,4'-biquinazolinyl (963-80-4)

Guidance literature:

With 2,2,6,6-tetramethyl-piperidine; n-butyllithium; In tetrahydrofuran; hexane; at -78 - 20 ℃; regioselective reaction; Inert atmosphere;

DOI:10.1002/jhet.4111

upstream raw materials:

quinazoline

3-benzoyl-3,4-dihydro-4-quinazolinecarbonitrile

4-cyano-3-(4-chlorobutyryl)-3,4-dihydroquinazoline

3-benzoyl-3,4-dihydro-4-(4-quinazolinyl)-4-quinazolinecarbonitrile

Downstream raw materials:

4-quinazolinol

Refernces

Synthesis of 4,4′-biquinazoline alcohols as chiral catalysts in enantioselective alkynylation of aldehydes with phenyl acetylene

10.1016/j.tetasy.2009.12.002

The research focuses on the synthesis of 4,4'-biquinazoline alcohols, which are chiral catalysts used in the enantioselective alkynylation of aldehydes with phenyl acetylene. The study outlines a series of chemical reactions beginning with the condensation of (S)-2-acetoxycarboxylic acid chlorides and 2-aminobenzamide, followed by key steps such as chlorination, nickel(0)-mediated homocoupling, and deprotection to yield the desired chiral 4,4'-biquinazoline alcohols. These catalysts are then combined with Ti(OiPr)4 and utilized in the asymmetric addition of zinc acetylide, generated in situ from phenylacetylene and diethylzinc, to aldehydes. The experiments involved various reactants, including SOCl2, anthranilamide, NaOH, TBDMSCl, POCl3, PhNEt2, NiCl2?6H2O, Zn, DMF, and Bu4NF, among others. The analyses used to characterize the compounds and determine their enantiomeric purities included HPLC, NMR spectroscopy, IR spectroscopy, X-ray diffraction, and specific rotation measurements. The best enantiomeric excess achieved in this study was 75%.

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