4-Nitro-1,3,5,7-tetraphenylheptane-1,7-dione

Base Information

• Chemical Name: 4-Nitro-1,3,5,7-tetraphenylheptane-1,7-dione
• CAS No.: 63877-69-0
• Molecular Formula: C₃₁H₂₇NO₄
• Molecular Weight: 477.56
• NSC Number: 137845
• DSSTox Substance ID: DTXSID10300609

Synonyms:63877-69-0;4-nitro-1,3,5,7-tetraphenylheptane-1,7-dione;NSC137845;DTXSID10300609;NSC-137845

Chemical Property of 4-Nitro-1,3,5,7-tetraphenylheptane-1,7-dione

Chemical Property:

• Vapor Pressure: 8.82E-18mmHg at 25°C
• Boiling Point: 669.4°Cat760mmHg
• Flash Point: 294°C
• Density: 1.196g/cm³
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 477.19400834
• Heavy Atom Count: 36
• Complexity: 653

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)C(C(CC(=O)C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

Technology Process of 4-Nitro-1,3,5,7-tetraphenylheptane-1,7-dione

There total 5 articles about 4-Nitro-1,3,5,7-tetraphenylheptane-1,7-dione 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: 24.0%

piperidine (110-89-4) + nitromethane (75-52-5) + benzalacetophenone (94-41-7) → 4-nitro-1,3-diphenyl-butan-1-one (6277-67-4) + 4-nitro-1,3,5,7-tetraphenyl-heptane-1,7-dione (63877-69-0) + 1,3-diphenyl-3-piperidin-1-yl-propan-1-one (5350-97-0) + ((1R,2S,4R,5S)-2-Hydroxy-5-nitro-2,4,6-triphenyl-cyclohexyl)-phenyl-methanone

Guidance literature:

In ethanol; water; at 20 ℃; for 96h;

DOI:10.1016/j.tetlet.2003.10.148

Reference yield: 9.0%

nitromethane (75-52-5) + 1,3-diphenyl-propen-3-one (614-47-1) → 4-nitro-1,3-diphenyl-butan-1-one (6277-67-4) + 4-nitro-1,3,5,7-tetraphenyl-heptane-1,7-dione (63877-69-0)

Guidance literature:

With potassium fluoride; (-)-N-dodecyl-N-methylephedrinium bromide; In methanol; at 25 ℃; for 96h;

DOI:10.1039/P19810000547

Reference yield:

nitromethane (75-52-5) + 1,3-diphenyl-propen-3-one (614-47-1) → 4-nitro-1,3,5,7-tetraphenyl-heptane-1,7-dione (63877-69-0)

Guidance literature:

With ethanol; diethylamine; optically inactive 4-nitro-1,3,5,7-tetraphenyl-heptanedion-(1.7) of mp: 230 degree;

DOI:10.1021/ja01300a029 DOI:10.1021/ja01202a010 DOI:10.1039/jr9430000596

upstream raw materials:

nitromethane

1,3-diphenyl-propen-3-one

benzalacetophenone

piperidine

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