[[2,4,6-Tris(tert-butyl)phenyl]imino]phosphinous acid 4-methyl-2,6-bis(tert-butyl)phenyl ester

Base Information

• Chemical Name: [[2,4,6-Tris(tert-butyl)phenyl]imino]phosphinous acid 4-methyl-2,6-bis(tert-butyl)phenyl ester
• CAS No.: 111252-28-9
• Molecular Formula: C33H52 N O P
• Molecular Weight: 509.7458
• DSSTox Substance ID: DTXSID70382784
• Nikkaji Number: J1.038.142H
• Wikidata: Q82174216

Synonyms:ST50322297;DTXSID70382784;AKOS002251319;[[2,4,6-Tris(tert-butyl)phenyl]imino]phosphinous acid 4-methyl-2,6-bis(tert-butyl)phenyl ester;111252-28-9

Chemical Property of [[2,4,6-Tris(tert-butyl)phenyl]imino]phosphinous acid 4-methyl-2,6-bis(tert-butyl)phenyl ester

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• XLogP3: 12.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 509.37865228
• Heavy Atom Count: 36
• Complexity: 688

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)C(C)(C)C)OP=NC2=C(C=C(C=C2C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C

Technology Process of [[2,4,6-Tris(tert-butyl)phenyl]imino]phosphinous acid 4-methyl-2,6-bis(tert-butyl)phenyl ester

There total 7 articles about [[2,4,6-Tris(tert-butyl)phenyl]imino]phosphinous acid 4-methyl-2,6-bis(tert-butyl)phenyl ester 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%

P-chloro-O-(2,6-di-tert-butyl-4-methylphenyl)-N-trimethylsilyl-N-<2,4,6-tri(tert-butyl)phenyl>amidophosphite (111252-27-8) → N-<2,4,6-tri(tert-butyl)phenyl>phosphenimidous acid 2,6-di-tert-butyl-4-methylphenyl ester (111252-28-9)

Guidance literature:

In tetrahydrofuran; for 3h; Heating;

Reference yield:

[P.tplbond.NC6H2Bu(t)3-2,4,6][(C6H2(Bu(t)2-2,4,6)(Me)O)AlCl3] → C6H2(C(CH3)3)3NP(C6H2(C(CH3)3)2(CH3)O) (188851-84-5,111252-28-9)

Guidance literature:

Multi-step reaction with 2 steps

1: PPh₃ / ⁽²⁾H₈-toluene

2: ⁽²⁾H₈-toluene

With PPh₃; In ⁽²⁾H₈-toluene;

DOI:10.1039/DT9940002925

Reference yield:

2,6-di-tert-butyl-4-methylphenoxydichlorophosphine (789-54-8) → N-<2,4,6-tri(tert-butyl)phenyl>phosphenimidous acid 2,6-di-tert-butyl-4-methylphenyl ester (111252-28-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 88 percent / diethyl ether; tetrahydrofuran / 24 h / 20 °C

2: 74 percent / tetrahydrofuran / 3 h / Heating

In tetrahydrofuran; diethyl ether;

upstream raw materials:

2,6-di-tert-butyl-4-methylphenoxydichlorophosphine

lithium N-trimethylsilyl-N-<2,4,6-tri(tert-butyl)phenyl>amide

P-chloro-N-(2,4,6-tri-tert-butylphenyl)-λ³-iminophosphine

lithium 2,6-di-tert-butyl-4-methylphenoxide

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