5-(4-Nitrophenyl)pentanoic acid

Base Information

• Chemical Name: 5-(4-Nitrophenyl)pentanoic acid
• CAS No.: 20492-10-8
• Molecular Formula: C11H13 N O4
• Molecular Weight: 223.229
• NSC Number: 174016
• DSSTox Substance ID: DTXSID70306081
• Wikidata: Q82052987
• Mol file: 20492-10-8.mol

Synonyms:5-(4-nitrophenyl)pentanoic acid;20492-10-8;Benzenepentanoic acid, 4-nitro-;NSC 174016;NSC174016;SCHEMBL1527806;5-(4-nitropheny)pentanoic acid;DTXSID70306081;NSC-174016;CS-0255018;EN300-11691204

Chemical Property of 5-(4-Nitrophenyl)pentanoic acid

Chemical Property:

• Vapor Pressure: 4.04E-08mmHg at 25°C
• Boiling Point: 428.9°C at 760 mmHg
• Flash Point: 185.5°C
• Density: 1.252g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 223.08445790
• Heavy Atom Count: 16
• Complexity: 241

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCCCC(=O)O)[N+](=O)[O-]

Technology Process of 5-(4-Nitrophenyl)pentanoic acid

There total 7 articles about 5-(4-Nitrophenyl)pentanoic 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: 100.0%

1,3-diethyl 2-[3-(4-nitrophenyl)propyl]propanedioate (118598-37-1) → 5-(4'-nitrophenyl)pentanoic acid (20492-10-8)

Guidance literature:

With hydrogenchloride; acetic acid; In water; for 24h; Reflux;

Reference yield: 58.0%

p-nitrobenzene iodide (636-98-6) → 5-(4'-nitrophenyl)pentanoic acid (20492-10-8)

Guidance literature:

Multistep reaction.;

DOI:10.1039/b003879m

Reference yield: 56.0%

5-Phenylpentanoic acid (2270-20-4) → 5-(4'-nitrophenyl)pentanoic acid (20492-10-8)

Guidance literature:

5-Phenylpentanoic acid; With sulfuric acid; acetic acid; at 0 ℃; for 2h;

With nitric acid; In water; Cooling with ice;

DOI:10.1016/j.ejmech.2020.112676

upstream raw materials:

5-Phenylpentanoic acid

p-nitrobenzene iodide

5-oxo-5-phenylvaleric acid

5-phenyl-2,4-pentadienoic acid

Downstream raw materials:

5-(4-nitro-phenyl)-valeric acid amide

5-{4-[bis-(2-chloro-ethyl)-amino]-phenyl}-valeric acid

5-(4-aminophenyl)pentanoic acid

5-<4-Nitro-phenyl>-pentylamin