69038-74-0

Basic information

• Product Name: TERT-BUTYL-3-BROMOBENZOATE
• Synonyms: TERT-BUTYL-3-BROMOBENZOATE;3-Bromobenzoic Acid-tert-Butyl Ester;t-Butyl-3-bromobenzoate;Benzoic acid, 3-broMo-, 1,1-diMethylethyl ester
• CAS NO: 69038-74-0
• Molecular Formula: C₁₁H₁₃BrO₂
• Molecular Weight: 257.12
• EINECS: 614-908-5
• Product Categories: Esters;Phenyls & Phenyl-Het;Aryl;Ester;Organohalides;Phenyls & Phenyl-Het
• Mol File: 69038-74-0.mol
• Article Data: 11

Chemical Properties

• Boiling Point: 283 °C at 760 mmHg
• Flash Point: 125 °C
• Appearance: /
• Density: 1.331 g/cm³
• Vapor Pressure: 0.00324mmHg at 25°C
• Refractive Index: 1.529
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: TERT-BUTYL-3-BROMOBENZOATE(CAS DataBase Reference)
• NIST Chemistry Reference: TERT-BUTYL-3-BROMOBENZOATE(69038-74-0)
• EPA Substance Registry System: TERT-BUTYL-3-BROMOBENZOATE(69038-74-0)

Safety Data

• Hazardous Substances Data: 69038-74-0(Hazardous Substances Data)

Usage

General Description

TERT-BUTYL-3-BROMOBENZOATE, also known as tert-butyl m-bromobenzoate, is a chemical compound with the molecular formula C11H13BrO2. It is a white crystalline solid with a fruity odor, commonly used in the production of fragrances and flavorings. TERT-BUTYL-3-BROMOBENZOATE is also used as an intermediate in organic synthesis, particularly in the preparation of pharmaceuticals and agrochemicals. TERT-BUTYL-3-BROMOBENZOATE is considered to be moderately hazardous to human health and the environment, and proper safety precautions should be followed when handling and storing this compound.

InChI:InChI=1/C11H13BrO2/c1-11(2,3)14-10(13)8-5-4-6-9(12)7-8/h4-7H,1-3H3

Upstream product

• 1711-09-7 3-bromobenzoyl chloride 
• 1907-33-1 lithium tert-butoxide 
• 24424-99-5 di-tert-butyl dicarbonate 
• 585-76-2 m-bromobenzoic acid 
• 75-91-2 tert.-butylhydroperoxide 
• 31938-07-5 (3-bromophenyl)acetonitrile 
• 865-47-4 potassium tert-butylate 
• 50-43-1 2,4,6-trichlorobenzoic acid 
• 108-36-1 1,3-dibromobenzene 
• 75-65-0 tert-butyl alcohol 
• 83766-88-5 2-tert-butoxypyridine 
• 201230-82-2 carbon monoxide 
• 591-19-5 m-Bromoaniline 

Downstream Products

• 1593267-93-6 tert-butyl 3-(3-(4-(tert-butyl)phenyl)prop-2-ynoyl)benzoate 
• 903895-48-7 tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate 

Relevant articles and documents

Compounds and methods of use

Compounds are provided according to Formula (I): and pharmaceutically acceptable salts thereof, and pharmaceutical compositions thereof; wherein X1, X2, X3, X4, Y, A, L1, L2, R1, R2, R5, m and n are as defined herein. Compounds of the present invention are contemplated useful for the prevention and treatment of a variety of conditions.

Silver/manganese dioxide nanorod catalyzed hydrogen-borrowing reactions and tert-butyl ester synthesis

Silver/manganese dioxide (Ag@MnO2) nanorods are synthesized and characterized by scanning electron microscopy, transmission electron microscopy, energy dispersive X-ray spectroscopy, X-ray powder diffraction, and X-ray photoelectron spectroscopy. It was discovered that Ag@MnO2 nanorods can realize hydrogen-borrowing reactions in high yields and are also effective for the synthesis of tert-butyl esters from aryl cyanides and tert-butyl hydroperoxide in a short period of time. Mechanistic experiments revealed that this catalytic system acts as a Lewis acid in hydrogen-borrowing reactions, while the synthesis of tert-butyl esters occurs through a radical pathway. This is the first report on the excellent catalytic activity of Ag@MnO2 nanorods as a catalyst.

A fast and practical synthesis of tert-butyl esters from 2-tert-butoxypyridine using boron trifluoride·diethyl etherate under mild conditions

A practical direct preparation of tert-butyl esters from 2-tert-butoxypyridine has been developed. This system features the use of boron trifluoride·diethyl etherate in toluene solvent to rapidly achieve the reaction at room temperature. Using this reaction protocol, a variety of tert-butyl esters were synthesized from several different carboxylic acids at high yields. This practical procedure provides a promising and effective approach to the protection of carboxylic acids with a tert-butyl group.