4-bromo-N-propylaniline

Base Information

• Chemical Name: 4-bromo-N-propylaniline
• CAS No.: 81090-35-9
• Molecular Formula: C₉H₁₂BrN
• Molecular Weight: 214.105
• DSSTox Substance ID: DTXSID901310033

Synonyms:4-bromo-N-propylaniline;81090-35-9;4-Bromo-N-propylbenzenamine;SCHEMBL1554174;DTXSID901310033;AKOS000241137;F70223

Chemical Property of 4-bromo-N-propylaniline

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 213.01531
• Heavy Atom Count: 11
• Complexity: 97.7

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCNC1=CC=C(C=C1)Br

Technology Process of 4-bromo-N-propylaniline

There total 5 articles about 4-bromo-N-propylaniline 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: 79.0%

ethene (74-85-1) + 4-bromo-N-methylaniline (6911-87-1,211060-12-7) → N-(4-bromophenyl)-N-propylamine (81090-35-9) + 4-bromo-N-(pentan-3-yl)aniline

Guidance literature:

With C₃₁H₅₃N₅Ti; In toluene; at 160 ℃; for 24h; under 1064.07 Torr; Schlenk technique; Inert atmosphere; Glovebox; Sealed tube;

DOI:10.1002/chem.201904502

Reference yield: 65.0%

propan-1-ol (71-23-8) + 4-bromo-aniline (106-40-1) → N-(4-bromophenyl)-N-propylamine (81090-35-9)

Guidance literature:

With Cu₁-Mo₁/TiO₂; In neat liquid; at 20 ℃; for 21h; Catalytic behavior; Inert atmosphere; UV-irradiation;

DOI:10.1039/c5cy00316d

Reference yield:

(4-Bromo-phenyl)-[1-phenyl-meth-(E)-ylidene]-propyl-ammonium; chloride → N-(4-bromophenyl)-N-propylamine (81090-35-9)

Guidance literature:

With hydrogenchloride; In water; for 0.05h; Heating;

DOI:10.1007/BF02494657

upstream raw materials:

N-propylaniline

N-benzylidene-4-bromoaniline

propan-1-ol

4-bromo-aniline

Downstream raw materials:

C₁₀H₁₁BrClNO

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