Ethyl 3-bromo-5-nitrobenzoate

Base Information

• Chemical Name: Ethyl 3-bromo-5-nitrobenzoate
• CAS No.: 690260-94-7
• Molecular Formula: C9H8BrNO4
• Molecular Weight: 274.071
• Hs Code.: 2916399090
• Mol file: 690260-94-7.mol

Synonyms:Ethyl 3-bromo-5-nitrobenzoate;

Chemical Property of Ethyl 3-bromo-5-nitrobenzoate

Chemical Property:

• Vapor Pressure: 9.68E-05mmHg at 25°C
• Refractive Index: 1.576
• Boiling Point: 338.7 °C at 760 mmHg
• Flash Point: 158.6 °C
• PSA: 72.12000
• Density: 1.594 g/cm³
• LogP: 3.05720
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

98%min ^*data from raw suppliers

Ethyl 3-bromo-5-nitrobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Ethyl 3-bromo-5-nitrobenzoate

There total 5 articles about Ethyl 3-bromo-5-nitrobenzoate 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: 99.0%

ethanol (64-17-5) + 3-bromo-5-nitro-benzoic acid (6307-83-1) → ethyl 3-bromo-5-nitrobenzoate (690260-94-7)

Guidance literature:

With thionyl chloride; at 0 - 80 ℃;

Reference yield: 67.0%

ethyl 3-amino-5-nitrobenzoate (10394-67-9) + allyl bromide (106-95-6) → ethyl 3-bromo-5-nitrobenzoate (690260-94-7) + ethyl 3-allyl-5-nitrobenzoate

Guidance literature:

With tert.-butylnitrite; In acetonitrile; at 11 - 25 ℃; for 1.33h;

DOI:10.1021/jo0258103

Reference yield:

3-bromo-5-nitro-benzoic acid (6307-83-1) → ethyl 3-bromo-5-nitrobenzoate (690260-94-7)

Guidance literature:

Multi-step reaction with 2 steps

1: thionyl chloride / toluene / 6 h / Heating / reflux

2: tetrahydrofuran / 0.5 h / 20 °C

With thionyl chloride; In tetrahydrofuran; toluene;

upstream raw materials:

ethyl 3-amino-5-nitrobenzoate

allyl bromide

ethanol

3-bromo-5-nitro-benzoic acid

Downstream raw materials:

ethyl 3-bromo-5-(methylsulfonamido)benzoate

ethyl 3-amino-5-(morpholin-4-yl)benzoate

ethyl 3-(morpholin-4-yl)-5-nitrobenzoate

ethyl 3-bromo-5-(2-oxo-1-pyrrolidinyl)-benzoate

Refernces

• 1、 -. "SULPHONAMIDES AND COMPOSITIONS THEREOF FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY". Page/Page column 458; 459. . Retrieved 2019/05/10.
• 2、 -. "COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY". Page/Page column 127. . Retrieved 2017/11/15.