18995-35-2

Basic information

• Product Name: 1-tert-Butoxy-4-chlorobenzene
• Synonyms: p-t-Buthoxychlorobenzene;TERT-BUTYL 4-CHLOROPHENYL ETHER;1-CHLORO-4-(1,1-DIMETHYL ETHYL) BENZENE ETHER;1-TERT-BUTOXY-4-CHLOROBENZENE;2-(4-CHLORO PHENOXY)TERT BUTANE;2-(4-CHLORO PHENOXY)TERT BUTYL;1-CHLORO-4-TERT-BUTOXYBENZENE;1-chloro-4-[(2-methylpropan-2-yl)oxy]benzene
• CAS NO: 18995-35-2
• Molecular Formula: C₁₀H₁₃ClO
• Molecular Weight: 184.66
• Mol File: 18995-35-2.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 230.9 °C at 760 mmHg
• Flash Point: 98.4 °C
• Appearance: Colorless transparent liquid
• Density: 1.055 g/cm³
• Vapor Pressure: 0.0974mmHg at 25°C
• Refractive Index: 1.5040-1.5080
• CAS DataBase Reference: 1-tert-Butoxy-4-chlorobenzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1-tert-Butoxy-4-chlorobenzene(18995-35-2)
• EPA Substance Registry System: 1-tert-Butoxy-4-chlorobenzene(18995-35-2)

Safety Data

• Hazardous Substances Data: 18995-35-2(Hazardous Substances Data)

Usage

Uses

1-tert-Butoxy-4-chlorobenzene is used in silico prediction of drug-induced myelotoxicity by using Naive Bayes method, reagent for the preparation of p-tert-butoxystyrene as intermediate for drug, agrochemicals and monomers.

InChI:InChI=1/C10H13ClO/c1-10(2,3)12-9-6-4-8(11)5-7-9/h4-7H,1-3H3

Upstream product

• 507-20-0 tertiary butyl chloride 
• 106-48-9 4-chloro-phenol 
• 6669-13-2 t-butyl phenyl ether 
• 106-39-8 bromochlorobenzene 
• 865-47-4 potassium tert-butylate 
• 927-83-3 di-t-butyldiazene 
• 115-11-7 isobutene 

Downstream Products

• 1158985-06-8 N-phenylsulfonyl-2-(4-tert-butoxyphenyl)indole 
• 1158984-98-5 2-(4-tert-butoxyphenyl)furan 
• 808142-44-1 2-(4-tert-butoxyphenyl)thiophene 
• 95418-58-9 4-tert-butoxystyrene 
• 1158985-08-0 1-tert-butoxy-4-cyclopropylbenzene 
• 1158985-01-3 5'-(4-tert-butoxyphenyl)-4-methyl-2,2'-bithiophene 
• 1158985-03-5 N-(tert-butoxycarbonyl)-2-(4-tert-butoxyphenyl)pyrrole 
• 1158985-00-2 2-(4-(tert-butoxy)phenyl)benzofuran 
• 28145-35-9 4-(2-chloroethyl)phenol 
• 56718-71-9 4-(2-methoxyethyl)phenol 
• 106-48-9 4-chloro-phenol 
• 6669-13-2 t-butyl phenyl ether 
• 938063-51-5 2-(4-(tert-butoxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 
• 57120-36-2 4-(tert-butoxy)aniline 

Relevant articles and documents

Preparation method of p-(2-methoxyl)ethyl phenol

The invention discloses a preparation method of p-(2-methoxyl) ethyl phenol. According to the preparation method, p-chlorophenol is taken as the raw material, after etherification reactions, p-chlorophenol with a protected phenolic hydroxyl group is obtained, and after Grignard reactions, chlorination reactions, and methoxyl substitution reactions, p-(2-methoxyl)ethyl phenol is generated. The provided preparation method has the advantages of easily available raw materials, mild reaction conditions, high safety coefficient, strong operability, simple technology, easy industrialization, high product purity, and stable quality. The prepared p-(2-methoxyl)ethyl phenol totally meets the using requirements of medical intermediates.

Development of a Triazine-Based tert-Butylating Reagent, TriAT-tBu

A new tert-butylating reagent, 2,4,6-tris(tert-butoxy)-1,3,5-triazine (TriAT-tBu) has been developed for the acid-catalyzed tert-butylation of alcohols and carboxylic acids. The reaction of various alcohols and carboxylic acids with TriAT-tBu in the presence of a catalytic amount of an acid provided the corresponding tert-butyl ethers and esters in good to high yields. TriAT-tBu is an air-stable solid synthesized in good yield from inexpensive starting materials, namely, cyanuric chloride, tBuOH, and sodium hydride.

Protection of phenols as t-butyl ethers under mild conditions

Zinc mediated selective O-y-butylation of phenols has been carried out in good to excellent yields under mild conditions. No trace of C-t-butylation was observed.