Benzenebutanoic acid, 3-nitro-

Base Information

• Chemical Name: Benzenebutanoic acid, 3-nitro-
• CAS No.: 1823-15-0
• Molecular Formula: C₁₀H₁₁NO₄
• Molecular Weight: 209.202
• DSSTox Substance ID: DTXSID001310262
• Mol file: 1823-15-0.mol

Synonyms:Benzenebutanoic acid, 3-nitro-;1823-15-0;3-Nitrobenzenebutanoic acid;SCHEMBL1538733;DTXSID001310262;AKOS013529992

Chemical Property of Benzenebutanoic acid, 3-nitro-

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 209.06880783
• Heavy Atom Count: 15
• Complexity: 236

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzenebutanoic acid, 3-nitro-

There total 3 articles about Benzenebutanoic acid, 3-nitro- 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: 76.0%

3-(3-nitrophenyl)-1-propionitrile → 4-(3-Nitro-phenyl)-buttersaeure (1823-15-0)

Guidance literature:

With sodium hydroxide; In methanol; for 1h; Heating;

DOI:10.1021/jm00004a010

Reference yield:

4-Phenylbutyric acid (1821-12-1) → 4-(3-Nitro-phenyl)-buttersaeure (1823-15-0) + 4-(2-nitrophenyl)-n-butyric acid (67857-97-0) + 4-(4-nitrophenyl)butanoic acid (5600-62-4)

Guidance literature:

With nitric acid; In dichloromethane; for 24h; Ambient temperature;

DOI:10.1021/jo9709763

Reference yield:

→ 4-(3-Nitro-phenyl)-buttersaeure (1823-15-0)

Guidance literature:

upstream raw materials:

4-Phenylbutyric acid