Oxo-di(propan-2-yl)phosphanium

Base Information

• Chemical Name: Oxo-di(propan-2-yl)phosphanium
• CAS No.: 53753-58-5
• Molecular Formula: C6H15OP
• Molecular Weight: 134.158
• European Community (EC) Number: 866-435-0
• DSSTox Substance ID: DTXSID20422861
• Wikidata: Q82234922
• Mol file: 53753-58-5.mol

Synonyms:oxo-di(propan-2-yl)phosphanium;53753-58-5;Phosphine oxide, bis(1-methylethyl)-;SCHEMBL1518;DTXSID20422861;2-(propan-2-ylphosphonoyl)propane;2-[(propan-2-yl)phosphonoyl]propane;AKOS006276292;BB 0221074;EN300-7587334

Chemical Property of Oxo-di(propan-2-yl)phosphanium

Chemical Property:

• PSA: 51.21000
• LogP: 2.63060
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 133.078227064
• Heavy Atom Count: 8
• Complexity: 76.5

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)[P+](=O)C(C)C

Technology Process of Oxo-di(propan-2-yl)phosphanium

There total 3 articles about Oxo-di(propan-2-yl)phosphanium 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:

[2,6-(iPr2PO)2C6H3]NiCl (948311-76-0) → diisopropylphosphine Oxide (53753-58-5) + recorcinol (108-46-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: n-butyllithium / hexane; tetrahydrofuran / 0.5 h / -78 - 0 °C / Inert atmosphere; Schlenk technique; Glovebox

1.2: 0.08 h / 20 °C / Inert atmosphere; Glovebox; Schlenk technique

2.1: water / tetrahydrofuran-d8 / Inert atmosphere; Schlenk technique; Glovebox

With n-butyllithium; water; In tetrahydrofuran; tetrahydrofuran-d8; hexane;

DOI:10.1021/acs.organomet.9b00645

Reference yield:

C22H36N2NiO2P2 → 3-Aminocrotononitrile (1118-61-2) + diisopropylphosphine Oxide (53753-58-5) + recorcinol (108-46-3)

Guidance literature:

With water; In tetrahydrofuran-d8; Inert atmosphere; Schlenk technique; Glovebox;

DOI:10.1021/acs.organomet.9b00645

Reference yield:

C22H36N2NiO2P2 → 3-Aminocrotononitrile (1118-61-2) + diisopropylphosphine Oxide (53753-58-5)

Guidance literature:

With water; In tetrahydrofuran-d8; Inert atmosphere; Schlenk technique; Glovebox;

DOI:10.1021/acs.organomet.9b00645

upstream raw materials:

[2,6-(ⁱPr₂PO)₂C₆H₃]NiCl

Downstream raw materials:

<α-Hydroxy-benzyl>-diisopropyl-phosphinoxid

C₁₆H₂₈O₂P₂

C₁₆H₂₈O₂P₂

di-isopropylphosphine