Pocop

Base Information

• Chemical Name: Pocop
• CAS No.: 279214-81-2
• Molecular Formula: C30H24O2P2
• Molecular Weight: 478.467
• UNII: RV3YH2Y6FP
• DSSTox Substance ID: DTXSID301241325
• Nikkaji Number: J1.351.195K
• Wikipedia: POCOP
• Wikidata: Q7119907
• Mol file: 279214-81-2.mol

Synonyms:POCOP;RV3YH2Y6FP;1,3-Bis(diphenylphosphinito)benzene;UNII-RV3YH2Y6FP;279214-81-2;P,P-1,3-Phenylene bis(P,P-diphenylphosphinite);Phosphinous acid, diphenyl-, 1,3-phenylene ester;Phosphinous acid, P,P-diphenyl-, P,P-1,3-phenylene ester;SCHEMBL1465968;DTXSID301241325;1,3-bis(diphenylphosphinooxy)benzene;MFCD31720964;1,3-Bis(diphenylphosphinyloxy)benzene

Chemical Property of Pocop

Chemical Property:

• XLogP3: 7.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 478.12515400
• Heavy Atom Count: 34
• Complexity: 478

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)P(C2=CC=CC=C2)OC3=CC(=CC=C3)OP(C4=CC=CC=C4)C5=CC=CC=C5

Technology Process of Pocop

There total 1 articles about Pocop 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: 86.0%

chloro-diphenylphosphine (1079-66-9,74391-44-9) + recorcinol (108-46-3) → 1,3-bis(diphenylphosphinito)benzene (279214-81-2)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 25 ℃; for 0.5h; Inert atmosphere;

DOI:10.1039/c1dt10381d

Reference yield: 88.0%

NiBr2(CH3CN)2 (14515-44-7) + 1,3-bis(diphenylphosphinito)benzene (279214-81-2) → [(2,6-(Ph2PO)2C6H3-κ3C,P,P')NiBr] (1303996-71-5)

Guidance literature:

In toluene; (N2); addn. of nickel compd. and triethylamine to stirred soln. of diphosphine deriv. in toluene, stirring at 25°C for 12 h; evapn., extn. (anhyd. CHCl3), filtration through silica gel, evapn. in vac., elem. anal.;

DOI:10.1039/c1dt10381d

Reference yield: 85.0%

palladium(II) trifluoroacetate + 1,3-bis(diphenylphosphinito)benzene (279214-81-2) → Pd(CH((C(OP(C6H5)2)CH)2CH))(OC(O)CF3) (315667-11-9)

Guidance literature:

In tetrahydrofuran; under N2; soln. of Pd(OCOCF3)2 and resorcinolbis(diphenyl)phosphinite (1:1 mol) in THF stirred at room temp. 2 h; evapd. (vac.); residue washed (EtOH); crystd. (CH2Cl2-EtOH); elem. anal.;

DOI:10.1039/b004793g

upstream raw materials:

chloro-diphenylphosphine

recorcinol

Downstream raw materials:

Pd(CH((C(OP(C₆H₅)2)CH)2CH))(OC(O)CF₃)

[(2,6-(Ph2PO)2C6H3-κ3C,P,P')NiI]

[(2,6-(Ph2PO)2C6H3-κ3C,P,P')Ni(hydroxide)]

[(2,6-(Ph2PO)2C6H3-κ3C,P,P')Ni(CN)]