4-Nitrobenzenepentanol

Base Information

• Chemical Name: 4-Nitrobenzenepentanol
• CAS No.: 129619-59-6
• Molecular Formula: C11H15NO3
• Molecular Weight: 209.245
• DSSTox Substance ID: DTXSID301314237
• Mol file: 129619-59-6.mol

Synonyms:4-Nitrobenzenepentanol;129619-59-6;SCHEMBL6455031;DTXSID301314237

Chemical Property of 4-Nitrobenzenepentanol

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 209.10519334
• Heavy Atom Count: 15
• Complexity: 183

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCCCCO)[N+](=O)[O-]

Technology Process of 4-Nitrobenzenepentanol

There total 2 articles about 4-Nitrobenzenepentanol 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: 97.0%

5-(4'-nitrophenyl)pentanoic acid (20492-10-8) → 5-(4-nitrophenyl)pentanol (129619-59-6)

Guidance literature:

With dimethylsulfide borane complex; In tetrahydrofuran; at 20 ℃; for 1h;

DOI:10.1021/jm00173a015

Reference yield:

5-Phenylpentanoic acid (2270-20-4) → 5-(4-nitrophenyl)pentanol (129619-59-6)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid; nitric acid / 2 h / -15 - 0 °C

2: dimethylsulfide borane complex / tetrahydrofuran / 1 h / Inert atmosphere

With dimethylsulfide borane complex; sulfuric acid; nitric acid; In tetrahydrofuran;

DOI:10.1002/chem.202002287

Reference yield: 91.0%

5-(4-nitrophenyl)pentanol (129619-59-6) + methanesulfonyl chloride (124-63-0) → 5-(4'-nitrophenyl)pentyl methanesulfonate (129619-60-9)

Guidance literature:

With pyridine; at 20 ℃; for 3h;

DOI:10.1021/jm00173a015

upstream raw materials:

5-(4'-nitrophenyl)pentanoic acid

5-Phenylpentanoic acid

Downstream raw materials:

5-(4'-nitrophenyl)pentyl methanesulfonate

1-(5-bromo-pentyl)-4-nitro-benzene

4-{5-[(3,4-Dimethoxy-benzyl)-methyl-amino]-pentyl}-phenylamine

5-<4-Nitro-phenyl>-pentyliodid