Tert-butyl 2-(3-bromophenyl)acetate

Base Information

• Chemical Name: Tert-butyl 2-(3-bromophenyl)acetate
• CAS No.: 197792-52-2
• Molecular Formula: C12H15BrO2
• Molecular Weight: 271.154
• European Community (EC) Number: 813-868-8
• Nikkaji Number: J3.271.523K

Synonyms:tert-butyl 2-(3-bromophenyl)acetate;197792-52-2;(3-bromo-phenyl)-acetic acid tert-butyl ester;SCHEMBL2909498;IUQYZZLJRJUKIH-UHFFFAOYSA-N;t-Butyl 2-(3-bromophenyl)acetate;tert-butyl2-(3-bromophenyl)acetate;MFCD19026476;AKOS013211639;DS-19045;3-Bromo-phenyl Acetic Acid Tert-butyl Ester;CS-0154838;FT-0768905;3-Bromobenzene 1-acetic acid tert-butyl ester;O12103;EN300-1696604;Benzeneacetic acid, 3-bromo-, 1,1-dimethylethyl ester

Chemical Property of Tert-butyl 2-(3-bromophenyl)acetate

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 270.02554
• Heavy Atom Count: 15
• Complexity: 220

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)CC1=CC(=CC=C1)Br

Technology Process of Tert-butyl 2-(3-bromophenyl)acetate

There total 5 articles about Tert-butyl 2-(3-bromophenyl)acetate 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: 94.0%

3-Bromophenylacetic acid (1878-67-7) + tert-butyl alcohol (75-65-0) → (3-Bromo-phenyl)-acetic acid tert-butyl ester (197792-52-2)

Guidance literature:

With dmap; di-tert-butyl dicarbonate; at 20 ℃; for 24h; Inert atmosphere;

DOI:10.3390/molecules15031590

Reference yield: 84.0%

tert-butyl acetoacetate (1694-31-1) + 1-Bromo-3-iodobenzene (591-18-4) → (3-Bromo-phenyl)-acetic acid tert-butyl ester (197792-52-2)

Guidance literature:

With 2-Picolinic acid; copper(l) iodide; caesium carbonate; In 1,4-dioxane; at 70 ℃; Inert atmosphere;

DOI:10.1016/j.tet.2013.10.017

Reference yield:

t-butyl-2,2,2-trichloroacetamidate + 3-Bromophenylacetic acid (1878-67-7) → (3-Bromo-phenyl)-acetic acid tert-butyl ester (197792-52-2)

Guidance literature:

With trifluoroborane diethyl ether; sodium hydrogencarbonate; In dichloromethane; cyclohexane;

upstream raw materials:

3-Bromophenylacetic acid

di-tert-butyl dicarbonate

tert-butyl alcohol

tert-butyl acetoacetate

Downstream raw materials:

2-(3'-vinylphenyl)-acetic acid tert-butyl ester

[3-(4-oxopiperidin-1-yl)phenyl]acetic acid tert-butyl ester

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