(2,4,6-Tri-tert-butylphenyl)phosphonothioic dichloride

Base Information

• Chemical Name: (2,4,6-Tri-tert-butylphenyl)phosphonothioic dichloride
• CAS No.: 85421-74-5
• Molecular Formula: C₁₈H₂₉Cl₂PS
• Molecular Weight: 379.374
• DSSTox Substance ID: DTXSID50511378
• Wikidata: Q82370137
• Mol file: 85421-74-5.mol

Synonyms:85421-74-5;(2,4,6-Tri-tert-butylphenyl)phosphonothioic dichloride;DTXSID50511378

Chemical Property of (2,4,6-Tri-tert-butylphenyl)phosphonothioic dichloride

Chemical Property:

• XLogP3: 9.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 378.1104645
• Heavy Atom Count: 22
• Complexity: 410

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)P(=S)(Cl)Cl)C(C)(C)C

Technology Process of (2,4,6-Tri-tert-butylphenyl)phosphonothioic dichloride

There total 2 articles about (2,4,6-Tri-tert-butylphenyl)phosphonothioic dichloride 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:

2,4,6-tri-t-butylphenylphosphonous dichloride (79074-00-3) → (2,4,6-tri-tert-butylphenyl)phosphonothioic dichloride (85421-74-5)

Guidance literature:

With hydrogen sulfide; chlorine; Yield given. Multistep reaction; 1.) CCl₄;

DOI:10.1016/S0040-4039(00)81569-5

Reference yield:

C18H29Cl3P(1+)*Cl(1-) (89864-80-2) → (2,4,6-tri-tert-butylphenyl)phosphonothioic dichloride (85421-74-5)

Guidance literature:

With hydrogen sulfide; In tetrachloromethane; Ambient temperature;

DOI:10.1016/S0040-4039(00)99898-8

Reference yield: 54.0%

(2,4,6-tri-tert-butylphenyl)phosphonothioic dichloride (85421-74-5) → E-2,3-bis-(2,4,6-tri-tert-butylphenyl)-1,2,3-thiadiphosphirane (85421-75-6,98060-75-4)

Guidance literature:

With magnesium; In tetrahydrofuran;

upstream raw materials:

2,4,6-tri-t-butylphenylphosphonous dichloride

C₁₈H₂₉Cl₃P⁽¹⁺⁾*Cl^(1-)

Downstream raw materials:

Bis(2,4,6-tri-tert-butylphenyl)diphosphen

trans-1,2-bis(2,4,6-tri-t-butylphenyl)diphosphene 1-sulphide

2,4,6-Tris(2,4,6-tri-tert-butylphenyl)-1,3,5-trithia-2,4,6-triphosphorinan

(2,4,6-t-Bu₃C₆H₂)PS₂