beta-(Acetylamino)-2-nitrobenzenepropanoic acid

Base Information

• Chemical Name: beta-(Acetylamino)-2-nitrobenzenepropanoic acid
• CAS No.: 103582-32-7
• Molecular Formula: C₁₁H₁₂N₂O₅
• Molecular Weight: 252.227
• DSSTox Substance ID: DTXSID601259224

Synonyms:beta-(Acetylamino)-2-nitrobenzenepropanoic acid;DTXSID601259224;103582-32-7

Chemical Property of beta-(Acetylamino)-2-nitrobenzenepropanoic acid

Chemical Property:

• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 252.07462149
• Heavy Atom Count: 18
• Complexity: 339

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)NC(CC(=O)O)C1=CC=CC=C1[N+](=O)[O-]

Technology Process of beta-(Acetylamino)-2-nitrobenzenepropanoic acid

There total 4 articles about beta-(Acetylamino)-2-nitrobenzenepropanoic 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: 40.0%

malonic acid (141-82-2) + 2-nitro-benzaldehyde (552-89-6) → 3-amino-3-(2-nitrophenyl)propionic acid (5678-48-8,732242-02-3,756814-14-9) + 3-N-Acetyl-amino-3-(o-nitrophenyl)-propionsaeure (103582-32-7) + 2-nitrocinnamic acid (612-41-9)

Guidance literature:

With ammonium acetate; In acetic acid; at 100 ℃; for 5h;

DOI:10.1002/ardp.19863190603

Reference yield: 40.0%

malonic acid (141-82-2) + acetic acid (64-19-7,77671-22-8) + 2-nitro-benzaldehyde (552-89-6) → 3-amino-3-(2-nitrophenyl)propionic acid (5678-48-8,732242-02-3,756814-14-9) + 3-N-Acetyl-amino-3-(o-nitrophenyl)-propionsaeure (103582-32-7) + 2-nitrocinnamic acid (612-41-9)

Guidance literature:

With ammonium acetate; at 100 ℃; for 5h;

DOI:10.1002/ardp.19863190603

Reference yield:

malonic acid (141-82-2) + 2-nitro-benzaldehyde (552-89-6) → 3-amino-3-(2-nitrophenyl)propionic acid (5678-48-8,732242-02-3,756814-14-9) + 3-(2-nitrophenyl)-2-carboxy-2-propenoic acid (103582-31-6) + 3-N-Acetyl-amino-3-(o-nitrophenyl)-propionsaeure (103582-32-7) + 2-nitrocinnamic acid (612-41-9)

Guidance literature:

With ammonium acetate; In acetic acid; Product distribution; Mechanism; variuos time and temperature;

DOI:10.1002/ardp.19863190603

upstream raw materials:

malonic acid

acetic acid

2-nitro-benzaldehyde

acetic anhydride

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