Tert-butyl 4-(2-bromoethyl)benzoate

Base Information

• Chemical Name: Tert-butyl 4-(2-bromoethyl)benzoate
• CAS No.: 149325-41-7
• Molecular Formula: C13H17BrO2
• Molecular Weight: 285.181
• DSSTox Substance ID: DTXSID60445170
• Wikidata: Q82263519
• Mol file: 149325-41-7.mol

Synonyms:Tert-butyl 4-(2-bromoethyl)benzoate;149325-41-7;SCHEMBL2211024;DTXSID60445170;CZUQCUGQLJSZOY-UHFFFAOYSA-N;t-butyl 4-(2-bromoethyl)benzoate

Chemical Property of Tert-butyl 4-(2-bromoethyl)benzoate

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 284.04119
• Heavy Atom Count: 16
• Complexity: 225

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Tert-butyl 4-(2-bromoethyl)benzoate

There total 5 articles about Tert-butyl 4-(2-bromoethyl)benzoate 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: 88.0%

4-(2-bromoethyl)benzoic acid (52062-92-7) + isobutene (115-11-7,15220-85-6) → tert-Butyl 4-(2-bromoethyl)benzoate (149325-41-7)

Guidance literature:

With sulfuric acid; In dichloromethane; for 24h; Ambient temperature;

DOI:10.1021/jo00129a040

Reference yield: 87.0%

tert-butyl 4-(2-hydroxyethyl)benzoate (149325-40-6) → tert-Butyl 4-(2-bromoethyl)benzoate (149325-41-7)

Guidance literature:

With carbon tetrabromide; triphenylphosphine; In tetrahydrofuran; at 20 ℃; Inert atmosphere;

Reference yield:

→ tert-Butyl 4-(2-bromoethyl)benzoate (149325-41-7)

Guidance literature:

upstream raw materials:

4-(2-bromoethyl)benzoic acid

isobutene

tert-butyl 4-(2-hydroxyethyl)benzoate

Downstream raw materials:

4-t-butyloxycarbonylstyrene

tert-Butyl 4-<2-<2-<<(N,N-dimethylamino)methylene>amino>-4(3H)-oxo-3-<(pivaloyloxy)methyl>-5H-pyrrolo<3,2-d>pyrimidin-5-yl>ethyl>benzoate

tert-butyl 4-[2-(4-oxido-4-phenyl-1,4-azaphosphinan-1-yl)ethyl]benzoate

4-<2-<2-<<(N,N-Dimethylamino)methylene>amino>-4(3H)-oxo-3-<(pivaloyloxy)methyl>-5H-pyrrolo<3,2-d>pyrimidin-5-yl>ethyl>benzoic acid