1-(2-CARBOXYPHENYL)-2-NITROETHANE

Base Information

• Chemical Name: 1-(2-CARBOXYPHENYL)-2-NITROETHANE
• CAS No.: 115912-92-0
• Molecular Formula: C9H9 N O4
• Molecular Weight: 195.17
• Mol file: 115912-92-0.mol

Synonyms:1-(2-CARBOXYPHENYL)-2-NITROETHANE

Chemical Property of 1-(2-CARBOXYPHENYL)-2-NITROETHANE

Chemical Property:

• PSA: 83.12000
• LogP: 1.72720

Purity/Quality:

97% ^*data from raw suppliers

1-(2-Carboxyphenyl)-2-nitroethane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1-(2-CARBOXYPHENYL)-2-NITROETHANE

There total 2 articles about 1-(2-CARBOXYPHENYL)-2-NITROETHANE 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: 93.0%

3-(nitromethyl)-isobenzofuran-1-(3H)-one (3598-68-3) → 2-(2-nitroethyl)benzoic acid (115912-92-0)

Guidance literature:

With sodium tetrahydroborate; In dimethyl sulfoxide; for 1h; Ambient temperature;

DOI:10.1021/jo00255a006

Reference yield:

3-hydroxy-1(3H)-isobenzofuranone (16859-59-9) → 2-(2-nitroethyl)benzoic acid (115912-92-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 81 percent / 10N aq NaOH / methanol / 2.5 h / Ambient temperature

2: 93 percent / NaBH₄ / dimethylsulfoxide / 1 h / Ambient temperature

With sodium hydroxide; sodium tetrahydroborate; In methanol; dimethyl sulfoxide;

DOI:10.1021/jo00255a006

upstream raw materials:

3-(nitromethyl)-isobenzofuran-1-(3H)-one

3-hydroxy-1(3H)-isobenzofuranone

Refernces