13395-07-8

Basic information

• Product Name: Phenol, 2-chloro-6-(1,1-dimethylethyl)-4-methyl-
• CAS NO: 13395-07-8
• Molecular Formula: C11H15ClO
• Molecular Weight: 198.692
• Mol File: 13395-07-8.mol
• Article Data: 5

Chemical Properties

• CAS DataBase Reference: Phenol, 2-chloro-6-(1,1-dimethylethyl)-4-methyl-(CAS DataBase Reference)
• NIST Chemistry Reference: Phenol, 2-chloro-6-(1,1-dimethylethyl)-4-methyl-(13395-07-8)
• EPA Substance Registry System: Phenol, 2-chloro-6-(1,1-dimethylethyl)-4-methyl-(13395-07-8)

Safety Data

• Hazardous Substances Data: 13395-07-8(Hazardous Substances Data)

Upstream product

• 2409-55-4 2-tert-Butyl-4-methylphenol 
• 128-37-0 2,6-di-tert-butyl-4-methyl-phenol 
• 10396-80-2 2,6-di-tert-butyl-4-hydroxy-4-methylcyclohexa-2,5-dienone 
• 78074-81-4 5-t-butyl-7-methyl-1-oxaspiro<2,5>octa-5,7-dien-4-one 
• 25844-12-6 2-hydroxy-5-methyl-3-tert-butylbenzyl alcohol 

Downstream Products

• 1131688-17-9 C₁₄H₁₉ClO 
• 65678-12-8 2-chloro-4-formyl-6-t-butylphenol 

Relevant articles and documents

Highly Selective Aromatic Chlorinations. Part 2. The Chlorination of Substituted Phenols, Anisoles, Anilines, and Related Compounds with N-Chloroamines in Acidic Solution

Phenols, anisoles, anilines, and related compounds are chlorinated in trifluoroacetic acid at room temperature by N-chlorodialkylamines and N-chlorotrialkylammonium salts.With monsubstituted compounds and their 2- and 3-substituted derivatives the reaction occurs efficiently and selectively at the 4-position.The reactivity of these substrates and the selectivity of their chlorinations are determined by electronic rather than steric effects of the substituent.Blocking the reaction with a substituent at the 4-position generally leads to only poor or moderate yields of the 2-chlorinated product.Evidence for radical and cation radical intermediates has been obtained in the reactions of some of the 4-substituted reactants and the mechanism of chlorination is discussed in the light of these findings.The reactions of selected substrates have been scaled up to give laboratory syntheses.

OXIDATIVE COUPLING REACTION OF 2-HALOPHENOLS WITH K3Fe(CN)6 IN BENZENE SOLUTION

The oxidative coupling of twelve 2-halophenols (1a-1l) was carried out with K3Fe(CN)6 in benzene solution to obtain the corresponding dibenzofuran derivatives.However, only a small amount of the desired dibenzofurans such as 2,6-di-tert-butyl-8-methoxybenzofuran-1,4-quinone (9) and 4,8-di-tert-butyl-2,6-di-isopropyl-1-hydroxydibenzofuran (11) were obtained from 2-bromo-6-tert-butyl-4-methoxy- (1d) and 2-bromo-4-tert-butyl-6-isopropylphenol (1g), respectively.In the other cases, alternative type of products or tarry materials were formed.