Di-tert-Butylphosphine oxide

Base Information

• Chemical Name: Di-tert-Butylphosphine oxide
• CAS No.: 684-19-5
• Molecular Formula: C8H19OP
• Molecular Weight: 162.212
• Hs Code.: 2931900090
• European Community (EC) Number: 663-425-6
• DSSTox Substance ID: DTXSID30987971
• Wikidata: Q82976360
• Mol file: 684-19-5.mol

Synonyms:Di-tert-Butylphosphine oxide;684-19-5;DI-T-BUTYLPHOSPHINE OXIDE;ditert-butyl(oxo)phosphanium;Phosphine oxide, di-tert-butyl-;Phosphine oxide, bis(1,1-dimethylethyl)-;BIS(1,1-DIMETHYLETHYL)PHOSPHINE OXIDE;DI-T-BUTYLPHOSPHINEOXIDE;MFCD00460156;Di-tert-butyl(oxo)phosphanium;SCHEMBL229400;DTXSID30987971;AKOS025295633;2-tert-butylphosphinoyl-2-methylpropane;2-(TERT-BUTYLPHOSPHONOYL)-2-METHYLPROPANE

Chemical Property of Di-tert-Butylphosphine oxide

Chemical Property:

• Melting Point: 74-82°C
• Boiling Point: 112 °C(Press: 9 Torr)
• PSA: 40.54000
• LogP: 3.14310
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 161.109527191
• Heavy Atom Count: 10
• Complexity: 120

Purity/Quality:

98%,99%, ^*data from raw suppliers

Di-t-butylphosphine oxide, 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F
• Hazard Codes: F
• Statements: 36/37/38-11
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Di-tert-Butylphosphine oxide

There total 5 articles about Di-tert-Butylphosphine oxide 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: 74.0%

1,2,3,4-Tetrakis-(di-tert-butyl-phosphanyl)-tetraphosphetane (118281-66-6,124817-78-3) + tetracarbonyl nickel (13463-39-3,71564-36-8) → ((CH3)3C)2HPNi(CO)3 (372945-95-4) + [cyclo-P4(P(Bu-t)2)4(Ni(CO)2)2] (372945-94-3) + di-tert-butylphosphine oxide (684-19-5)

Guidance literature:

In toluene; 4 equiv. of Ni-compd., room temp.;

Reference yield: 34.0%

Di-tert-Butyl(amino)phosphan (17858-28-5) + Hexafluoroacetone (684-16-2) → bis(trifluoromethyl)ketimine (1645-75-6) + di-tert-butylphosphine oxide (684-19-5) + Di-tert-butylphosphinsaeure-<2,2,2-trifluor-1-(trifluormethyl)ethylester> (80281-17-0)

Guidance literature:

for 144h; Product distribution; Ambient temperature;

Reference yield:

(C4H9)2PHBH2(C4H9)2PBH3 → di-tert-butylphosphine borane (128363-76-8) + di-tert-butylphosphine (819-19-2) + di-tert-butylphosphine oxide (684-19-5)

Guidance literature:

In neat (no solvent); heating at 175-180°C for 16 h in sublimator (N2); detected by NMR spectra;

DOI:10.1021/ic0100626

upstream raw materials:

tertiary butyl chloride

Di-tert-Butyl(amino)phosphan

Hexafluoroacetone

1,2,3,4-Tetrakis-(di-tert-butyl-phosphanyl)-tetraphosphetane

Downstream raw materials:

Benzoyl-di-t-butylphosphinoxyd

trans-1-(di-tert-butylphosphinyl)-2-(diphenylphosphinyl)ethene

{(S)-[2-(Di-tert-butyl-phosphinoyl)-ethyl]-methyl-phosphinoyl}-benzene

N-(3,5-dimethylphenyl)-N-methylformamide

Refernces

• 1、 Dorn,Vejzovic,Lough,Manners. "Rhodium-catalyzed dehydrocoupling of the sterically encumbered phosphine-borane adduct tBu2PH·BH3: Synthesis of the linear dimers tBu2PH-BH2-tBu2P-BH3 and tBu2PH-BH2-t". . p. 4327 - 4331. Retrieved 2008/10/08.
• 2、 Storzer, Werner,Roeschenthaler, Gerd-Volker,Schmutzler, Reinhard,Sheldrick, William S.. "Oxidative Additionen an 2-Amino-4,4,5,5-tetrakis(trifluormethyl)-1,3,2-dioxaphospholan". . p. 3609 - 3624. Retrieved 2007/10/02.