TERT-BUTYL-4-BROMOBENZOATE

Base Information

• Chemical Name: TERT-BUTYL-4-BROMOBENZOATE
• CAS No.: 59247-47-1
• Molecular Formula: C11H13BrO2
• Molecular Weight: 257.127
• Hs Code.: 2916399090
• Mol file: 59247-47-1.mol

Synonyms:4-Bromobenzoicacid tert-butyl ester;tert-Butyl 4-bromobenzoate;tert-Butyl p-bromobenzoate;

Chemical Property of TERT-BUTYL-4-BROMOBENZOATE

Chemical Property:

• Vapor Pressure: 0.00139mmHg at 25°C
• Refractive Index: 1.529
• Boiling Point: 297 °C at 760 mmHg
• Flash Point: 133.4 °C
• PSA: 26.30000
• Density: 1.331 g/cm³
• LogP: 3.40440
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature

Purity/Quality:

98%,99%, ^*data from raw suppliers

tert-Butyl4-Bromobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 4-bromo substituted benzoic acid derivative, tert-Butyl-4-broMobenzoate can be used as a building block for the synthesis of various biologically active compounds.

Technology Process of TERT-BUTYL-4-BROMOBENZOATE

There total 19 articles about TERT-BUTYL-4-BROMOBENZOATE 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: 100.0%

potassium tert-butylate (865-47-4) + 4-chlorobenzoyl chloride (586-75-4) → tert-butyl-4-bromobenzoate (59247-47-1)

Guidance literature:

In tetrahydrofuran; at 0 - 20 ℃; for 2h; Inert atmosphere;

DOI:10.1039/c5ra26310g

Reference yield: 98.0%

1.4-dibromobenzene (106-37-6) + di-tert-butyl dicarbonate (24424-99-5) → tert-butyl-4-bromobenzoate (59247-47-1)

Guidance literature:

1.4-dibromobenzene; With n-butyllithium; butyl magnesium bromide; In tetrahydrofuran; hexane; toluene; at -5 ℃;

di-tert-butyl dicarbonate; In tetrahydrofuran; hexane; toluene; at -5 ℃;

With citric acid; In tetrahydrofuran; hexane; toluene; Further stages.;

DOI:10.1016/j.tetlet.2007.12.134

Reference yield: 89.0%

di-tert-butyl peroxide (110-05-4) + 4-bromo-benzaldehyde (1122-91-4) → tert-butyl-4-bromobenzoate (59247-47-1)

Guidance literature:

With copper(I) bromide; In hexane; at 50 ℃; for 5h; Inert atmosphere;

DOI:10.1039/c3ra40246k

upstream raw materials:

4-chlorobenzoyl chloride

tert-butyl alcohol

4-methoxycarbonylphenyl bromide

sodium t-butanolate

Downstream raw materials:

4-(tert-butoxycarbonyl)benzaldehyde

N-benzyl-4,4'-di-tert-butylcarboxydiphenylamine

tert-butyl 4-[2-(4-chlorophenyl)-2-oxoethyl]benzoate

Refernces

• 1、 Gurrentz, Joseph M.,Rose, Michael J.. "Non-Catalytic Benefits of Ni(II) Binding to an Si(111)-PNP Construct for Photoelectrochemical Hydrogen Evolution Reaction: Metal Ion Induced Flat Band Potential Modulation". supporting information. . Retrieved 2020/03/27.
• 2、 Eisele, Pascal,Bauder, Michael,Hsu, Shih-Fan,Plietker, Bernd. "A Cyanide-Free Synthesis of Acylcyanides through Ru-Catalyzed C(sp3)-H-Oxidation of Benzylic Nitriles". . p. 689 - 691. Retrieved 2019/05/07.