CID 13015961

Base Information

• Chemical Name: CID 13015961
• CAS No.: 914-03-4
• Molecular Formula: C₃₀H₂₀O₂
• Molecular Weight: 412.488
• DSSTox Substance ID: DTXSID801204120
• Nikkaji Number: J1.549.935D

Synonyms:DTXSID801204120;914-03-4;1,2,6,7-tetraphenyl-4-oxaspiro[2.4]hepta-1,6-dien-5-one

Chemical Property of CID 13015961

Chemical Property:

• XLogP3: 5.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 412.146329876
• Heavy Atom Count: 32
• Complexity: 750

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=C(C3(C(=C3C4=CC=CC=C4)C5=CC=CC=C5)OC2=O)C6=CC=CC=C6

Technology Process of CID 13015961

There total 5 articles about CID 13015961 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: 97.0%

diphenylcyclopropenone (886-38-4) → 1,2,6,7-tetraphenyl-4-oxaspiro[2.4]hepta-1,6-dien-5-one (914-03-4)

Guidance literature:

With copper(I) bromide; In 1,2-dichloro-ethane; at 75 ℃; for 12h; Inert atmosphere;

DOI:10.1055/s-0029-1216934

Reference yield: 27.0%

isatoic anhydride (118-48-9) + diphenylcyclopropenone (886-38-4) → 1,2,6,7-tetraphenyl-4-oxaspiro[2.4]hepta-1,6-dien-5-one (914-03-4) + (E)-2-(1,2-diphenylvinyl)-4H-benzo[d][1,3]oxazin-4-one + (E)-1,1,1,3,3,3-hexafluoropropan-2-yl-2,3-diphenylacrylate

Guidance literature:

With 1,1,1,3',3',3'-hexafluoro-propanol; sodium carbonate; silver(l) oxide; In toluene; at 100 ℃; for 16h; Reagent/catalyst; Solvent; Temperature; Mechanism; Schlenk technique; Inert atmosphere;

DOI:10.1002/adsc.202100489

Reference yield: 4.0%

2H-benzo[b]thiete (63559-01-3) + diphenylcyclopropenone (886-38-4) → 1,2,6,7-tetraphenyl-4-oxaspiro[2.4]hepta-1,6-dien-5-one (914-03-4) + 6H,12H-Dibenzo<1,5>dithiocin (263-06-9) + 2',3'-Diphenylspiro<4H-3,1-benzoxathiin-2,1'-<2>cyclopropen> (124921-70-6)

Guidance literature:

In toluene; Heating;

upstream raw materials:

2H-benzo[b]thiete

diphenylcyclopropenone

N,N-dimethyl-formamide

isatoic anhydride

Downstream raw materials:

{(CO)3Fe(C(C₆H₅)C(C₆H₅)COC(O)C(C₆H₅)C(C₆H₅))}

{(C₅H₅)Co(C(O)C(C₆H₅)C(C₆H₅)COC(O)C(C₆H₅)C(C₆H₅))}

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