4-(4-Nitrobutyl)phenol

Base Information

• Chemical Name: 4-(4-Nitrobutyl)phenol
• CAS No.: 108185-82-6
• Molecular Formula: C₁₀H₁₃NO₃
• Molecular Weight: 195.218
• DSSTox Substance ID: DTXSID40547520
• Wikidata: Q82425793
• Mol file: 108185-82-6.mol

Synonyms:4-(4-NITROBUTYL)PHENOL;108185-82-6;SCHEMBL5183969;DTXSID40547520

Chemical Property of 4-(4-Nitrobutyl)phenol

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 195.08954328
• Heavy Atom Count: 14
• Complexity: 171

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCCC[N+](=O)[O-])O

Technology Process of 4-(4-Nitrobutyl)phenol

There total 3 articles about 4-(4-Nitrobutyl)phenol 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:

4-(4-methoxyphenyl)butan-1-ol (52244-70-9,239474-80-7) → 4-(4-Nitro-butyl)-phenol (108185-82-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 2.) NaI / 1.) mesylation 2.) M₂CO, reflux

2: Amberlyst A-26 polymer-supported nitrite reagent / benzene / 8 h / Ambient temperature

3: CH₂Cl₂ / 2 h / -78 gradC to 0 gradC

With Amberlyst A-26 polymer-supported nitrite reagent; sodium iodide; In dichloromethane; benzene;

DOI:10.1016/S0040-4039(00)85396-4

Reference yield:

1-iodo-4-(4-methoxyphenyl)butane (73515-08-9) → 4-(4-Nitro-butyl)-phenol (108185-82-6)

Guidance literature:

Multi-step reaction with 2 steps

1: Amberlyst A-26 polymer-supported nitrite reagent / benzene / 8 h / Ambient temperature

2: CH₂Cl₂ / 2 h / -78 gradC to 0 gradC

With Amberlyst A-26 polymer-supported nitrite reagent; In dichloromethane; benzene;

DOI:10.1016/S0040-4039(00)85396-4

Reference yield:

1-Methoxy-4-(4-nitro-butyl)-benzene (134304-39-5) → 4-(4-Nitro-butyl)-phenol (108185-82-6)

Guidance literature:

In dichloromethane; for 2h; -78 gradC to 0 gradC;

DOI:10.1016/S0040-4039(00)85396-4

upstream raw materials:

1-Methoxy-4-(4-nitro-butyl)-benzene

4-(4-methoxyphenyl)butan-1-ol

1-iodo-4-(4-methoxyphenyl)butane