4-Nitrophenyl 2-bromo-2-methylpropanoate

Base Information

• Chemical Name: 4-Nitrophenyl 2-bromo-2-methylpropanoate
• CAS No.: 116729-21-6
• Molecular Formula: C10H10BrNO4
• Molecular Weight: 288.098
• DSSTox Substance ID: DTXSID10557757
• Nikkaji Number: J1.149.432C
• Wikidata: Q82439758
• Mol file: 116729-21-6.mol

Synonyms:4-Nitrophenyl 2-bromo-2-methylpropanoate;116729-21-6;SCHEMBL3310085;DTXSID10557757;IYSVNJYVWXNCDV-UHFFFAOYSA-N;p-nitrophenyl alpha-bromoisobutyrate;2-Bromo-2-methyl-propionic acid 4-nitro-phenyl ester

Chemical Property of 4-Nitrophenyl 2-bromo-2-methylpropanoate

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 286.97932
• Heavy Atom Count: 16
• Complexity: 279

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])Br

Technology Process of 4-Nitrophenyl 2-bromo-2-methylpropanoate

There total 1 articles about 4-Nitrophenyl 2-bromo-2-methylpropanoate 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: 95.6%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + 2-bromoisobutyric acid bromide (20769-85-1) → 2-bromo-2-methylpropionic acid 4-nitrophenyl ester (116729-21-6)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 0.5h; Reagent/catalyst;

Reference yield: 78.0%

2-bromo-2-methylpropionic acid 4-nitrophenyl ester (116729-21-6) + 2-(3-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanone (301699-27-4) → 2,2-dimethyl-4-(3-fluorophenyl)-5-[4-(methylthio)phenyl]-3(2H)-furanone (301693-50-5)

Guidance literature:

With sodium hexamethyldisilazane; In tetrahydrofuran; at -20 ℃; for 0.5h;

Reference yield: 60.0%

DPAIO nitroxide + 2-bromo-2-methylpropionic acid 4-nitrophenyl ester (116729-21-6) → C36H29N3O5

Guidance literature:

With N,N,N',N'',N'''-pentamethyldiethylenetriamine; copper; copper(I) bromide; In toluene; at 20 ℃; for 24h;

upstream raw materials:

4-nitro-phenol

2-bromoisobutyric acid bromide

Downstream raw materials:

2,2-dimethyl-3-(1-methyl-(1-(4-nitrophenoxy)-carbonyl)ethoxy)-4-methyl-(4-(4-nitrophenoxy)carbonyl)ethyl-3-azapentane

N-(1-methyl-(1-(4-nitrophenoxy)carbonyl)ethoxy)-N-(1-methyl-(1-(4-nitrophenoxy)carbonyl)ethyl)benzenamine

2,2-dimethyl-4-(3-fluorophenyl)-5-[4-(methylthio)phenyl]-3(2H)-furanone

C₁₀H₁₂BrNO₂