2-((2-bromoethyl)-(2-((methylsulfonyl)oxy)ethyl)amino)-3,5-dinitrobenzoic acid

Base Information

• Chemical Name: 2-((2-bromoethyl)-(2-((methylsulfonyl)oxy)ethyl)amino)-3,5-dinitrobenzoic acid
• CAS No.: 950998-62-6
• Molecular Formula: C₁₂H₁₄BrN₃O₉S
• Molecular Weight: 456.228
• Mol file: 950998-62-6.mol

Synonyms:2-((2-bromoethyl)-(2-((methylsulfonyl)oxy)ethyl)amino)-3,5-dinitrobenzoic acid

Chemical Property of 2-((2-bromoethyl)-(2-((methylsulfonyl)oxy)ethyl)amino)-3,5-dinitrobenzoic acid

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 2-((2-bromoethyl)-(2-((methylsulfonyl)oxy)ethyl)amino)-3,5-dinitrobenzoic acid

There total 5 articles about 2-((2-bromoethyl)-(2-((methylsulfonyl)oxy)ethyl)amino)-3,5-dinitrobenzoic acid 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: 91.0%

tert-butyl 2-((2-bromoethyl)-(2-((methylsulfonyl)oxy)ethyl)amino)-3,5-dinitrobenzoate (950998-61-5) → 2-((2-bromoethyl)-(2-((methylsulfonyl)oxy)ethyl)amino)-3,5-dinitrobenzoic acid (950998-62-6)

Guidance literature:

With trifluoroacetic acid; at 20 ℃; for 3h;

DOI:10.1002/jlcr.1147

Reference yield:

tert-butyl 2-chloro-3,5-dinitrobenzoate (87363-66-4) → 2-((2-bromoethyl)-(2-((methylsulfonyl)oxy)ethyl)amino)-3,5-dinitrobenzoic acid (950998-62-6)

Guidance literature:

Multi-step reaction with 4 steps

1: 94 percent / dioxane / 10 - 20 °C

2: 90 percent / pyridine / 1 h / 0 - 20 °C

3: 43 percent / lithium bromide / dimethylformamide / 1.5 h / 50 °C

4: 91 percent / trifluoroacetic acid / 3 h / 20 °C

With pyridine; trifluoroacetic acid; lithium bromide; In 1,4-dioxane; N,N-dimethyl-formamide;

DOI:10.1002/jlcr.1147

Reference yield:

tert-butyl 2-(bis(2-hydroxyethyl)amino)-3,5-dinitrobenzoate (950998-59-1) → 2-((2-bromoethyl)-(2-((methylsulfonyl)oxy)ethyl)amino)-3,5-dinitrobenzoic acid (950998-62-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 90 percent / pyridine / 1 h / 0 - 20 °C

2: 43 percent / lithium bromide / dimethylformamide / 1.5 h / 50 °C

3: 91 percent / trifluoroacetic acid / 3 h / 20 °C

With pyridine; trifluoroacetic acid; lithium bromide; In N,N-dimethyl-formamide;

DOI:10.1002/jlcr.1147

upstream raw materials:

tert-butyl 2-((2-bromoethyl)-(2-((methylsulfonyl)oxy)ethyl)amino)-3,5-dinitrobenzoate

tert-butyl 2-(bis(2-hydroxyethyl)amino)-3,5-dinitrobenzoate

tert-butyl 2-(bis(2-(methylsulfonyloxy)ethyl)amino)-3,5-dinitrobenzoate

tert-butyl 2-chloro-3,5-dinitrobenzoate

Downstream raw materials:

C₁₉H₂₈BrN₅O₁₀S

methanesulfonic acid 2-[(2-chlorocarbonyl-4,6-dinitro-phenyl)-(2-chloro-ethyl)-amino]-ethyl ester