1,3-Bis[(di-tert-butylphosphino)oxy]benzene

Base Information

• Chemical Name: 1,3-Bis[(di-tert-butylphosphino)oxy]benzene
• CAS No.: 338800-20-7
• Molecular Formula: C22H40O2P2
• Molecular Weight: 398.506
• European Community (EC) Number: 810-945-8
• DSSTox Substance ID: DTXSID201128277
• Nikkaji Number: J2.018.199K
• Mol file: 338800-20-7.mol

Synonyms:1,3-Bis[(di-tert-butylphosphino)oxy]benzene;338800-20-7;ditert-butyl-(3-ditert-butylphosphanyloxyphenoxy)phosphane;Phosphinous acid, P,P-bis(1,1-dimethylethyl)-, 3-[[bis(1,1-dimethylethyl)phosphino]oxy]phenyl ester;SCHEMBL1466187;DTXSID201128277;MFCD28975098;B4595;T70790;3-[[Bis(1,1-dimethylethyl)phosphino]oxy]phenyl P,P-bis(1,1-dimethylethyl)phosphinite;Phosphinousacid,P,P-bis(1,1-dimethylethyl)-,3-[[bis(1,1-dimethylethyl)phosphino]oxy]phenylester

Chemical Property of 1,3-Bis[(di-tert-butylphosphino)oxy]benzene

Chemical Property:

• Melting Point: 50 °C
• PSA: 45.64000
• LogP: 8.43200
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 398.25035451
• Heavy Atom Count: 26
• Complexity: 367

Purity/Quality:

97% ^*data from raw suppliers

1,3-Bis[(di-tert-butylphosphino)oxy]benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)P(C(C)(C)C)OC1=CC(=CC=C1)OP(C(C)(C)C)C(C)(C)C

Technology Process of 1,3-Bis[(di-tert-butylphosphino)oxy]benzene

There total 1 articles about 1,3-Bis[(di-tert-butylphosphino)oxy]benzene 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: 89.0%

di(tert-butyl)chlorophosphine (13716-10-4) + recorcinol (108-46-3) → 1,3-bis(di-tert-butylphosphinooxy)benzene (338800-20-7)

Guidance literature:

recorcinol; With sodium hydride; In tetrahydrofuran; for 1h; Schlenk technique; Reflux;

di(tert-butyl)chlorophosphine; In tetrahydrofuran; for 16h; Schlenk technique;

DOI:10.1021/acscatal.8b01497

Reference yield: 93.0%

bis(1,5-cyclooctadiene)diiridium(I) dichloride (12112-67-3) + 1,3-bis(di-tert-butylphosphinooxy)benzene (338800-20-7) → (η3-C6H3(OP(tert-butyl)2)2)IrHCl (671789-61-0)

Guidance literature:

In toluene; Ar; addn. of toluene to Ar-filled flask contg. 0.5 equiv. of Ir complex and 1.1 equiv. of ligand, stirred at 150°C (oil bath) for 12 h; rapidly cooled to 30°C, evapd. under vac., residue extd. with pentane under ultrasound, filtration, solid washed with pentane, dried under high vac.; elem. anal.;

DOI:10.1021/ja0385235

Reference yield: 5.0%

iron pentacarbonyl (13463-40-6,71564-23-3,37220-42-1) + 1,3-bis(di-tert-butylphosphinooxy)benzene (338800-20-7) → C30H40Fe2O10P2

Guidance literature:

With pentamethylcyclopentadienyliron(III) dicarbonyl dimer; In toluene; at 70 ℃; for 14h; Glovebox; Inert atmosphere; Schlenk technique;

DOI:10.1039/c6dt01149g

upstream raw materials:

di(tert-butyl)chlorophosphine

recorcinol

Downstream raw materials:

(η3-C6H3(OP(tert-butyl)2)2)IrHCl