4,6-Bis(4-nitrophenyl)-2,5-diphenyl-1,3,5,2-dioxaphosphaborinane

Base Information

• Chemical Name: 4,6-Bis(4-nitrophenyl)-2,5-diphenyl-1,3,5,2-dioxaphosphaborinane
• CAS No.: 100204-57-7
• Molecular Formula: C₂₆H₂₀BN₂O₆P
• Molecular Weight: 498.239
• DSSTox Substance ID: DTXSID00540471
• Mol file: 100204-57-7.mol

Synonyms:100204-57-7;4,6-Bis(4-nitrophenyl)-2,5-diphenyl-1,3,5,2-dioxaphosphaborinane;1,3,5,2-Dioxaphosphaborinane, 4,6-bis(4-nitrophenyl)-2,5-diphenyl-;DTXSID00540471

Chemical Property of 4,6-Bis(4-nitrophenyl)-2,5-diphenyl-1,3,5,2-dioxaphosphaborinane

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 498.1152035
• Heavy Atom Count: 36
• Complexity: 694

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B1(OC(P(C(O1)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

Technology Process of 4,6-Bis(4-nitrophenyl)-2,5-diphenyl-1,3,5,2-dioxaphosphaborinane

There total 1 articles about 4,6-Bis(4-nitrophenyl)-2,5-diphenyl-1,3,5,2-dioxaphosphaborinane 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: 60.0%

2,5-diphenyl-4,6-dimethyl-1,3,2,5-dioxaborataphosphorinane (87579-69-9) + 4-nitrobenzaldehdye (555-16-8) → 2,5-diphenyl-4,6-di(p-nitrophenyl)-1,3,2,5-dioxaboraphosphorinane (100204-57-7)

Guidance literature:

In acetone; ca. 20°C, 3 h; evapn., recrystn. (acetone); elem. anal.;

DOI:10.1007/BF00953433

Reference yield: 77.0%

2,5-diphenyl-4,6-di(p-nitrophenyl)-1,3,2,5-dioxaboraphosphorinane (100204-57-7) → (C6H5)2(C6H4NO2)2PC2H2O2B(NC5H5) (107206-19-9)

Guidance literature:

With pyridine; In pyridine; benzene; dissolved 4,6-di-p-nitrophenyl-2,5-diphenyl-1,3,2,5-dioxaboraphosphorinane in benzene-pyridine mixt. (3:1); 1 h; solvent removed in vac.; crystd. from acetone; elem.anal.;

DOI:10.1007/BF00953232

upstream raw materials:

2,5-diphenyl-4,6-dimethyl-1,3,2,5-dioxaborataphosphorinane

4-nitrobenzaldehdye

Downstream raw materials:

(C₆H₅)2(C₆H₄NO₂)2PC₂H₂O₂B(NC₅H₅)