Spiro[9H-fluorene-9,9'(10'H)-phenanthren]-10'-one

Base Information

• Chemical Name: Spiro[9H-fluorene-9,9'(10'H)-phenanthren]-10'-one
• CAS No.: 1749-36-6
• Molecular Formula: C26H16 O
• Molecular Weight: 344.412
• Hs Code.: 2914399090
• DSSTox Substance ID: DTXSID50443246
• Nikkaji Number: J1.045.708D
• Wikidata: Q82260977
• Mol file: 1749-36-6.mol

Synonyms:1749-36-6;Spiro[9H-fluorene-9,9'(10'H)-phenanthren]-10'-one;Spiro[fluorene-9,10'-phenanthrene]-9'-one;10'H-spiro[fluorene-9,9'-phenanthren]-10'-one;SCHEMBL20455698;DTXSID50443246;KCQBAOXSMSWQBJ-UHFFFAOYSA-N;Spiro[phenanthrene-9(10H),9'-[9H]-fluorene]-10-one;Spiro[9H-fluorene-9,9/'(10/'H)-phenanthren]-10/'-one

Chemical Property of Spiro[9H-fluorene-9,9'(10'H)-phenanthren]-10'-one

Chemical Property:

• Melting Point: 256-258 °C
• Boiling Point: 553.3±50.0 °C(Predicted)
• PSA: 17.07000
• Density: 1.32±0.1 g/cm3(Predicted)
• LogP: 5.86470
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 344.120115130
• Heavy Atom Count: 27
• Complexity: 571

Purity/Quality:

99% ^*data from raw suppliers

SPIRO[FLUORENE-9,9'-(10'H)-PHENANTHREN]-10'-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C4(C2=O)C5=CC=CC=C5C6=CC=CC=C46

Technology Process of Spiro[9H-fluorene-9,9'(10'H)-phenanthren]-10'-one

There total 16 articles about Spiro[9H-fluorene-9,9'(10'H)-phenanthren]-10'-one 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: 75.0%

tetrabenzo[5.5]fulvalene (746-47-4) → 9-fluorenone (486-25-9,952573-42-1) + spiro[9H-fluorene-9,9'(10'H)-phenanthrene]-10'-one (1749-36-6)

Guidance literature:

With 2-Picolinic acid; manganese(II) perchlorate hexahydrate; dihydrogen peroxide; sodium acetate; dimethylglyoxal; In water; acetone; at 0 - 20 ℃; for 0.5h;

DOI:10.1002/ejoc.201901380

Reference yield: 21.0%

9-fluorenone (486-25-9,952573-42-1) → tetrabenzo[5.5]fulvalene (746-47-4) + spiro[9H-fluorene-9,9'(10'H)-phenanthrene]-10'-one (1749-36-6)

Guidance literature:

With diethyl sodio phosphonate; In benzene; at 145 ℃; for 5h; sealed tube;

Reference yield: 18.0%

9-fluorenone (486-25-9,952573-42-1) + diethyl 1-anilino-1-methylethylphosphonate amino-anion, sodium salt (75761-29-4) → tetrabenzo[5.5]fulvalene (746-47-4) + N-(propan-2-ylidene)aniline (1124-52-3) + spiro[9H-fluorene-9,9'(10'H)-phenanthrene]-10'-one (1749-36-6) + sodium diethyl phosphate (2870-30-6)

Guidance literature:

In benzene; at 80 ℃; for 8h; Product distribution; other carbonyl compounds; other reagents (diethyl sodiophosphonate, diethyl 1-anilinocyclohexylphosphonate amino-anion);

upstream raw materials:

9-fluorenone

9-fluorenone oxime

9-(α-hydroxy-benzhydryl)-fluoren-9-ol

phenyl isocyanate

Downstream raw materials:

dibenzo[g,p]chrysene

2'-fluoren-9-yl-biphenyl-2-carboxylic acid

C₃₈H₂₆O

2,7,10,15-tetrabromodibenzo[g,p]chrysene