BiPhePhos

Base Information

• Chemical Name: BiPhePhos
• CAS No.: 121627-17-6
• Molecular Formula: C46H44O8P2
• Molecular Weight: 786.78
• European Community (EC) Number: 700-178-6
• UNII: LKX6732VAP
• DSSTox Substance ID: DTXSID60746295
• Nikkaji Number: J1.143.243C
• Wikipedia: BiPhePhos
• Wikidata: Q97359533
• Mol file: 121627-17-6.mol

Synonyms:BiPhePhos;121627-17-6;LKX6732VAP;6,6'-[(3,3'-Di-tert-butyl-5,5'-dimethoxy-1,1'-biphenyl-2,2'-diyl)bis(oxy)]bis(dibenzo[d,f][1,3,2]dioxaphosphepin);EC 700-178-6;6,6'-((3,3'-Di-tert-butyl-5,5'-dimethoxy-[1,1'-biphenyl]-2,2'-diyl)bis(oxy))didibenzo[d,f][1,3,2]dioxaphosphepine;6,6/'-[(3,3/'-Di-t-butyl-5,5/'-dimethoxy-1,1/'-biphenyl-2,2/'-diyl)bis(oxy)]bis(dibenzo[d,f][1,3,2]d;6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3-tert-butyl-5-methoxyphenyl)-6-tert-butyl-4-methoxyphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;2,2'-Bis[(1,1'-biphenyl-2,2'-diyl)phosphite]-3,3'-di-tert-butyl-5,5'-dimethoxy-1,1'-biphenyl;6,6'-((3,3'-Di-tert butyl-5,5'-dimethoxy-1,1'-biphenyl-2,2'-diyl)bis(oxy))bis(dibenzo(d,f)(1,3,2)dioxaphosphepine);2,2'-BIS((1,1'-BIPHENYL-2,2'-DIYL)PHOSPHITE)-3,3'-DI-TERT-BUTYL-5,5'-DIMETHOXY-1,1'-BIPHENYL;6,6'-((3,3'-BIS(1,1-DIMETHYLETHYL)-5,5'-DIMETHOXY(1,1'-BIPHENYL)-2,2'-DIYL)BIS(OXY))BIS(DIBENZO(D,F)(1,3,2)DIOXAPHOSPHEPIN);6,6'-[[3,3'-Bis(1,1-dimethylethyl)-5,5'-dimethoxy[1,1'-biphenyl]-2,2'-diyl]bis(oxy)]bis[dibenzo[d,f][1,3,2]dioxaphosphepin];UNII-LKX6732VAP;SCHEMBL1389648;DTXSID60746295;WUFGFUAXCBPGOL-UHFFFAOYSA-N;WEA62717;MFCD00233876;AS-75122;CS-0035180;D97308;J-004550;6,6'-((3,3'-Di-tert-butyl-5,5'-dimethoxybiphenyl-2,2'-diyl)bis(oxy))bis(dibenzo(d,f)(1,3,2)dioxaphosphepine);6,6'-[(3,3'-Di-t-butyl-5,5'-dimethoxy-1,1'-biphenyl-2,2'-diyl)bis(oxy)] bis(dibenzo[d,f][1,3,2]dioxaphosphepin);6,6'-[(3,3'-Di-tert-butyl-5,5'-dimethoxy-1,1'-biphenyl-2,2'-diyl)bis(oxy)]bis(dibenzo[d,f][1,3,2]dioxaphosphepin), 97%;6,6'-[(3,3'-di-tert-butyl-5,5'-dimethoxybiphenyl-2,2= '-diyl)bis(oxy)]bis(dibenzo[d,f][1,3,2]dioxaphosphepine);6,6-[(3,3-Di-tert-butyl-5,5-dimethoxy-1,1-biphenyl-2,2-diyl)bis(oxy)]bis(dibenzo[d,f][1,3,2]dioxaphosphepin)

Chemical Property of BiPhePhos

Chemical Property:

• Melting Point: 128-133 °C
• Boiling Point: 768.263 °C at 760 mmHg
• Flash Point: 530.131 °C
• PSA: 101.02000
• Density: 1.258 at 20℃
• LogP: 13.45400
• Storage Temp.: -20°C
• Sensitive.: air sensitive, moisture sensitiv
• XLogP3: 13.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 786.25114235
• Heavy Atom Count: 56
• Complexity: 1120

Purity/Quality:

99.9% ^*data from raw suppliers

6,6'-[(3,3'-Di-t-butyl-5,5'-dimethoxy-1,1'-biphenyl-2,2'-diyl)bis(oxy)] bis(dibenzo[d,f][1,3,2]dioxaphosphepin) hemi ethyl acetate adduct, min. 95% BIPHEPHOS ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC(=CC(=C1OP2OC3=CC=CC=C3C4=CC=CC=C4O2)C5=C(C(=CC(=C5)OC)C(C)(C)C)OP6OC7=CC=CC=C7C8=CC=CC=C8O6)OC

Technology Process of BiPhePhos

There total 3 articles about BiPhePhos 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: 98.0%

2,2'-dihydroxybiphenyl (1806-29-7) + 2,2'-dihydroxy-3,3'-di-tert-butyl-5,5'-dimethoxy-1,1'-biphenyl (14078-41-2) → 6,6′-[(3,3′-di-tert-butyl-5,5′-dimethoxy-1,1′-biphenyl-2,2′-diyl)bis(oxy)]bis(di-benzo[d,f][1,3,2]dioxaphosphepin) (121627-17-6)

Guidance literature:

2,2'-dihydroxybiphenyl; With pyridine; phosphorus trichloride; In tetrahydrofuran; for 6h;

2,2'-dihydroxy-3,3'-di-tert-butyl-5,5'-dimethoxy-1,1'-biphenyl; In tetrahydrofuran; at 100 ℃; for 11h; Concentration;

Reference yield: 93.0%

6-chloro-dibenzo[d,f][1,3,2]-dioxaphosphepin (16611-68-0) + 2,2'-dihydroxy-3,3'-di-tert-butyl-5,5'-dimethoxy-1,1'-biphenyl (14078-41-2) → 6,6′-[(3,3′-di-tert-butyl-5,5′-dimethoxy-1,1′-biphenyl-2,2′-diyl)bis(oxy)]bis(di-benzo[d,f][1,3,2]dioxaphosphepin) (121627-17-6)

Guidance literature:

With pyridine; In tetrahydrofuran; acetonitrile; at 40 ℃; for 0.25h; Reagent/catalyst; Solvent;

Reference yield:

→ 6,6′-[(3,3′-di-tert-butyl-5,5′-dimethoxy-1,1′-biphenyl-2,2′-diyl)bis(oxy)]bis(di-benzo[d,f][1,3,2]dioxaphosphepin) (121627-17-6)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; at -78 - 20 ℃; for 1h; Schlenk technique; Inert atmosphere;

In tetrahydrofuran; at -78 - 20 ℃; for 24h;

upstream raw materials:

6-chloro-dibenzo[d,f][1,3,2]-dioxaphosphepin

2,2'-dihydroxy-3,3'-di-tert-butyl-5,5'-dimethoxy-1,1'-biphenyl

2,2'-dihydroxybiphenyl

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