4-Isopropylamino-3-nitro-benzoic acid methyl ester

Base Information

• Chemical Name: 4-Isopropylamino-3-nitro-benzoic acid methyl ester
• CAS No.: 234751-02-1
• Molecular Formula: C₁₁H₁₄N₂O₄
• Molecular Weight: 238.243
• Mol file: 234751-02-1.mol

Synonyms:4-isopropylamino-3-nitrobenzoic acid methyl ester

Chemical Property of 4-Isopropylamino-3-nitro-benzoic acid methyl ester

Chemical Property:

• Boiling Point: 377.2±32.0 °C(Predicted)
• PKA: -2.60±0.50(Predicted)
• Density: 1.240±0.06 g/cm3(Predicted)

Purity/Quality:

4-ISOPROPYLAMINO-3-NITRO-BENZOIC ACID METHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 4-Isopropylamino-3-nitro-benzoic acid methyl ester

There total 7 articles about 4-Isopropylamino-3-nitro-benzoic acid methyl ester 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: 98.0%

methyl 3-nitro-4-chlorobenzoate (14719-83-6) + isopropylamine (75-31-0) → 4-isopropylamino-3-nitrobenzoic acid methyl ester (234751-02-1)

Guidance literature:

With triethylamine; In 1,4-dioxane; at 80 ℃;

Reference yield: 94.1%

4-fluoro-3-nitro-benzoic acid methyl ester (329-59-9) + isopropylamine (75-31-0) → 4-isopropylamino-3-nitrobenzoic acid methyl ester (234751-02-1)

Guidance literature:

In acetonitrile; at 120 ℃; for 1.58333h; Cooling with ice;

Reference yield:

3-nitro-4-fluorobenzoic acid (453-71-4) → 4-isopropylamino-3-nitrobenzoic acid methyl ester (234751-02-1)

Guidance literature:

Multi-step reaction with 3 steps

1: oxalyl chloride; N,N-dimethylformamide / CH₂Cl₂ / 16 h / 22 °C

2: 52.4 g / triethylamine / CH₂Cl₂ / 16 h / 22 °C

3: CH₂Cl₂ / 5 h / 0 - 22 °C

With oxalyl dichloride; triethylamine; N,N-dimethyl-formamide; In dichloromethane;

DOI:10.1021/jm050346q

upstream raw materials:

methanol

3-nitro-4-fluorobenzoic acid

isopropylamine

4-fluoro-3-nitro-benzoic acid methyl ester

Downstream raw materials:

3-amino-4-isopropylaminobenzoic acid methyl ester

C₂₃H₂₃N₃O₂S