4-Butoxy-3-chloroaniline

Base Information

• Chemical Name: 4-Butoxy-3-chloroaniline
• CAS No.: 5493-75-4
• Molecular Formula: C₁₀H₁₄ClNO
• Molecular Weight: 199.68
• DSSTox Substance ID: DTXSID201309445
• Mol file: 5493-75-4.mol

Synonyms:4-BUTOXY-3-CHLOROANILINE;5493-75-4;4-Butoxy-3-chlorobenzenamine;SCHEMBL3788715;DTXSID201309445;AKOS000102366;CS-0297741;EN300-1296159;A1-17570

Chemical Property of 4-Butoxy-3-chloroaniline

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 199.0763918
• Heavy Atom Count: 13
• Complexity: 143

Purity/Quality:

98%min ^*data from raw suppliers

4-Butoxy-3-chloroaniline ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: CCCCOC1=C(C=C(C=C1)N)Cl

Technology Process of 4-Butoxy-3-chloroaniline

There total 5 articles about 4-Butoxy-3-chloroaniline 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: 93.0%

2-chloro-4-butoxy-nitrobenzene (5391-56-0) → 3-chloro-4-butoxyaniline (5493-75-4)

Guidance literature:

With iron; ammonium chloride; In methanol; water; Reflux;

Reference yield:

2-chloro-4-nitrophenol potassium salt → 3-chloro-4-butoxyaniline (5493-75-4)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / acetonitrile / Reflux

2: iron; ammonium chloride / water; methanol / Reflux

With iron; potassium carbonate; ammonium chloride; In methanol; water; acetonitrile;

Reference yield:

(4-butoxy-phenyl)-carbamic acid ethyl ester → 3-chloro-4-butoxyaniline (5493-75-4)

Guidance literature:

With sulfuryl dichloride; Trichloroethylene; Erhitzen des Reaktionsprodukts mit wss. Ammoniak auf 160grad;

upstream raw materials:

para-butoxyaniline

2-chloro-4-butoxy-nitrobenzene