sodium o-tert-butylphenolate

Base Information

• Chemical Name: sodium o-tert-butylphenolate
• CAS No.: 39068-23-0
• Molecular Formula: C10H14 O . Na
• Molecular Weight: 172.202
• Hs Code.: 2907199090
• Mol file: 39068-23-0.mol

Synonyms:Phenol,2-(1,1-dimethylethyl)-, sodium salt (9CI); Phenol, o-tert-butyl-, sodium salt;Sodium 2-tert-butylphenoxide

Chemical Property of sodium o-tert-butylphenolate

Chemical Property:

• Vapor Pressure: 0.074mmHg at 25°C
• Boiling Point: 221°Cat760mmHg
• Flash Point: 98.9°C
• PSA: 23.06000
• Density: g/cm³
• LogP: 3.12790

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of sodium o-tert-butylphenolate

There total 1 articles about sodium o-tert-butylphenolate 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-tert-Butylphenol (88-18-6) → sodium 2-tert-butylphenolate (39068-23-0)

Guidance literature:

With sodium hydroxide; In methanol; at 20 ℃;

Reference yield: 81.0%

sodium 2-tert-butylphenolate (39068-23-0) + Hexafluoroacetone (684-16-2) → 2,4-di(2-hydroxyhexafluoroisopropyl)-6-tert-butylphenol (123557-93-7)

Guidance literature:

In 1,1,2-Trichloro-1,2,2-trifluoroethane; at 85 - 95 ℃; for 2h;

DOI:10.1007/BF00953301

Reference yield:

sodium 2-tert-butylphenolate (39068-23-0) → N-(6-(3-(tert-butyl)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-methoxyphenyl)naphthalen-2-yl)methanesulfonamide (1132935-63-7)

Guidance literature:

Multi-step reaction with 6 steps

1.1: sodium iodide; sodium hypochlorite / methanol / 0 °C

1.2: 1.62 h / 1.2 - 4.1 °C / pH 3

2.1: sodium hydroxide / water; acetone

3.1: potassium phosphate; copper(l) iodide / N-(2-cyanophenyl)pyridine-2-carboxamide / acetonitrile; dimethyl sulfoxide / 16 h / 60 °C / Inert atmosphere

4.1: potassium phosphate / tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; 1,3,5,7-tetramethyl-8-phenyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane / water; tetrahydrofuran / 2.5 h / 65 °C / Inert atmosphere

5.1: potassium carbonate / N,N-dimethyl-formamide / Inert atmosphere

6.1: potassium phosphate / tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; t-BuBrettPhos / tetrahydrofuran / 20 h / 20 - 90 °C / Inert atmosphere

With sodium hypochlorite; potassium phosphate; copper(l) iodide; potassium carbonate; sodium iodide; sodium hydroxide; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; N-(2-cyanophenyl)pyridine-2-carboxamide; t-BuBrettPhos; 1,3,5,7-tetramethyl-8-phenyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane; In tetrahydrofuran; methanol; water; dimethyl sulfoxide; N,N-dimethyl-formamide; acetone; acetonitrile;

upstream raw materials:

2-tert-Butylphenol

Downstream raw materials:

2-(2-hydroxyhexafluoroisopropyl)-6-tert-butylphenol

2,4-di(2-hydroxyhexafluoroisopropyl)-6-tert-butylphenol

methoxymesityldichlorogermane

2-(tert-butyl)-4,6-diiodophenol

Refernces

• 1、 -. "PROCESS FOR PREPARING ANTIVIRAL COMPOUND". Page/Page column 17. . Retrieved 2010/11/04.