4-Butyl-2-nitroaniline

Base Information

• Chemical Name: 4-Butyl-2-nitroaniline
• CAS No.: 3663-22-7
• Molecular Formula: C10H14 N2 O2
• Molecular Weight: 194.233
• Hs Code.: 2921420090
• European Community (EC) Number: 222-916-1
• UNII: 2V4YCA6UEZ
• DSSTox Substance ID: DTXSID3074602
• Nikkaji Number: J205.576G
• Wikidata: Q82002872
• Mol file: 3663-22-7.mol

Synonyms:4-Butyl-2-nitroaniline;3663-22-7;Benzenamine, 4-butyl-2-nitro-;4-Butyl-2-nitrobenzenamine;EINECS 222-916-1;2V4YCA6UEZ;2-nitro-4-n-butylaniline;4-n-Butyl-2-nitroaniline;UNII-2V4YCA6UEZ;SCHEMBL2647110;DTXSID3074602;MFCD23725964;AKOS017530041;AS-48007;F17526;A874312

Chemical Property of 4-Butyl-2-nitroaniline

Chemical Property:

• Vapor Pressure: 9.91E-05mmHg at 25°C
• Boiling Point: 338.3°Cat760mmHg
• Flash Point: 158.4°C
• PSA: 71.84000
• Density: 1.146g/cm³
• LogP: 3.62400
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 194.105527694
• Heavy Atom Count: 14
• Complexity: 191

Purity/Quality:

98%Min ^*data from raw suppliers

4-Butyl-2-nitroaniline 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCC1=CC(=C(C=C1)N)[N+](=O)[O-]

Technology Process of 4-Butyl-2-nitroaniline

There total 9 articles about 4-Butyl-2-nitroaniline 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: 96.0%

N-(4-butyl-2-nitrophenyl)acetamide (3663-21-6) → 4-n-butyl-2-nitroaniline (3663-22-7)

Guidance literature:

With sulfuric acid; In methanol; water; for 2h; Reflux;

DOI:10.1002/jhet.2399

Reference yield: 95.0%

4-Butylaniline (104-13-2) → 4-n-butyl-2-nitroaniline (3663-22-7)

Guidance literature:

4-Butylaniline; With trifluoroacetic anhydride; In dichloromethane; at 0 ℃; for 0.25h; Reflux; Inert atmosphere; Glovebox; Schlenk technique;

With nitric acid; In DClO₄; at 0 ℃; for 3h; Reflux; Inert atmosphere; Glovebox; Schlenk technique;

DOI:10.1002/ejic.201800511

Reference yield:

C12H16N2O4 → 4-n-butyl-2-nitroaniline (3663-22-7)

Guidance literature:

With hydrogenchloride; at 100 ℃; for 2h;

upstream raw materials:

N-(4-butyl-2-nitrophenyl)acetamide

N-(4-butylphenyl)acetamide

4-Butylaniline

1-butyl-4-nitro-benzene

Downstream raw materials:

4-n-butyl-2-nitrobenzaldehyde

m-(n-butyl)-aniline

α-chloro-β-(4-n-butyl-2-nitrophenyl)propionic acid

1-Methoxycarbonyl-3-(4n-butyl-2-nitrophenyl)-thiourea

Refernces

• 1、 R?sener, Thomas,Hoffmann, Alexander,Herres-Pawlis, Sonja. "Next Generation of Guanidine Quinoline Copper Complexes for Highly Controlled ATRP: Influence of Backbone Substitution on Redox Chemistry and Solubility". . p. 3164 - 3175. Retrieved 2018.
• 2、 -. "5-n-butyl-1H-benzotriazole synthesis process". Paragraph 0011. . Retrieved 2016/12/01.