6-(4-Nitrophenyl)hexanoic acid

Base Information

• Chemical Name: 6-(4-Nitrophenyl)hexanoic acid
• CAS No.: 65596-92-1
• Molecular Formula: C12H15NO4
• Molecular Weight: 237.255
• DSSTox Substance ID: DTXSID80608109
• Wikidata: Q82507220
• Mol file: 65596-92-1.mol

Synonyms:6-(4-nitrophenyl)hexanoic acid;65596-92-1;SCHEMBL1400171;DTXSID80608109;LNMSGYBBBYSZRA-UHFFFAOYSA-N

Chemical Property of 6-(4-Nitrophenyl)hexanoic acid

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 237.10010796
• Heavy Atom Count: 17
• Complexity: 254

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCCCCC(=O)O)[N+](=O)[O-]

Technology Process of 6-(4-Nitrophenyl)hexanoic acid

There total 2 articles about 6-(4-Nitrophenyl)hexanoic 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:

6-phenylhexanic acid (5581-75-9) → 6-(4-nitrophenyl)-hexanoic acid (65596-92-1)

Guidance literature:

With nitric acid; In hexane; ethyl acetate;

Reference yield:

→ 6-(4-nitrophenyl)-hexanoic acid (65596-92-1)

Guidance literature:

With nitric acid;

DOI:10.1021/ja01318a067

Reference yield:

6-(4-nitrophenyl)-hexanoic acid (65596-92-1) → 6-(4-Nitro-phenyl)-hexylamine (80258-67-9)

Guidance literature:

With tris-(2-chloro-ethyl)-amine; In chloroform; at 50 ℃; for 4h;

DOI:10.1021/jm00345a015

upstream raw materials:

6-phenylhexanic acid

Downstream raw materials:

6-(4-nitro-phenyl)-hexanoic acid amide

6-(4-Nitro-phenyl)-hexylamine

N-<6-(4-aminophenyl)hexyl>phthalimide

N-<6-(4-nitrophenyl)hexyl>phthalimide