2-Chloro-3-(3,5-ditert-butyl-4-hydroxyphenyl)naphthoquinone

Base Information

• Chemical Name: 2-Chloro-3-(3,5-ditert-butyl-4-hydroxyphenyl)naphthoquinone
• CAS No.: 135979-40-7
• Molecular Formula: C24H25ClO3
• Molecular Weight: 396.914
• European Community (EC) Number: 664-933-0
• Nikkaji Number: J815.923H
• Mol file: 135979-40-7.mol

Synonyms:2-chloro-3-(3,5-ditert-butyl-4-hydroxyphenyl)naphthoquinone;135979-40-7;CBMicro_020395;SCHEMBL3694407;CCG-8360;STK999256;AKOS000808066;BIM-0020361.P001;2-chloro-3-(3,5-di-tert-butyl-4-hydroxyphenyl)naph;Z56174569;F1094-0010;2-chloro-3-(3,5-di-tert-butyl-4-hydroxyphenyl)naphthoquinone;2-(4-Hydroxy-3,5-di-tert-butylphenyl)-3-chloro-1,4-naphthoquinone;2-chloro-3-(3,5-di-tert-butyl-4-hydroxyphenyl)naphthalene-1,4-dione

Chemical Property of 2-Chloro-3-(3,5-ditert-butyl-4-hydroxyphenyl)naphthoquinone

Chemical Property:

• XLogP3: 6.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 396.1492223
• Heavy Atom Count: 28
• Complexity: 655

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl

Technology Process of 2-Chloro-3-(3,5-ditert-butyl-4-hydroxyphenyl)naphthoquinone

There total 1 articles about 2-Chloro-3-(3,5-ditert-butyl-4-hydroxyphenyl)naphthoquinone 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: 95.0%

2,3-Dichloro-1,4-naphthoquinone (117-80-6) + 2,6-di-tert-butylphenol (128-39-2) → 2-chloro-3-(3,5-di-tert-butyl-4-hydroxyphenyl)-1,4-naphthoquinone (135979-40-7)

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide; for 24h; Ambient temperature;

Reference yield: 90.0%

2-chloro-3-(3,5-di-tert-butyl-4-hydroxyphenyl)-1,4-naphthoquinone (135979-40-7) → 3,3-dichloro-2-(4-oxo-3,5-di-tert-butyl-2,5-cyclohexadien-1-ylidene)-2,3-dihydro-1,4-naphthoquinone

Guidance literature:

With tert-butylhypochlorite; In benzene; at 20 ℃;

Reference yield: 85.0%

methanol (67-56-1) + 2-chloro-3-(3,5-di-tert-butyl-4-hydroxyphenyl)-1,4-naphthoquinone (135979-40-7) → 2-(3,5-Di-tert-butyl-4-hydroxyphenyl)-3-methoxy-1,4-naphthochinon (135979-36-1)

Guidance literature:

With sodium hydroxide; for 12h; Ambient temperature;

DOI:10.1002/ardp.2503240806

upstream raw materials:

2,3-Dichloro-1,4-naphthoquinone

2,6-di-tert-butylphenol

Downstream raw materials:

2-(3,5-Di-tert-butyl-4-hydroxyphenyl)-3-(N-methylpiperazin-1-yl)-1,4-naphthochinon

2-(3,5-Di-tert-butyl-4-hydroxyphenyl)-3-methoxy-1,4-naphthochinon

2-(3,5-di-tert-butyl-4-hydroxyphenyl)-3-hydroxy-1,4-naphthoquinone

2-(3-tert-Butyl-4-hydroxyphenyl)-3-chlor-1,4-naphthochinon

Refernces

• 1、 Richwien,Wurm, Gotthard. "Influence of 2-aryl-3-halogen/3-hydroxy-1,4-naphthoquinones with salicylic and cinnamic acid partial structures on the arachidonic acid cascade". . p. 163 - 169. Retrieved 2007/10/03.