4-Butoxybenzylamine

Base Information

• Chemical Name: 4-Butoxybenzylamine
• CAS No.: 21244-35-9
• Molecular Formula: C11H17NO
• Molecular Weight: 179.262
• Hs Code.: 2922299090
• DSSTox Substance ID: DTXSID40276388
• Wikidata: Q82006881
• Mol file: 21244-35-9.mol

Synonyms:4-BUTOXYBENZYLAMINE;(4-butoxyphenyl)methanamine;21244-35-9;(4-Butoxybenzyl)amine;1-(4-butoxyphenyl)methanamine;starbld0000301;SCHEMBL1157194;DTXSID40276388;STL220882;AKOS000150630;LS-06432;EN300-178589;6-Chloroimidazo[1,2-b]pyridazine-2-carboxylicacid

Chemical Property of 4-Butoxybenzylamine

Chemical Property:

• PSA: 35.25000
• LogP: 3.02450
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 179.131014166
• Heavy Atom Count: 13
• Complexity: 119

Purity/Quality:

98%Min ^*data from raw suppliers

(4-Butoxyphenyl)methanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC1=CC=C(C=C1)CN

Technology Process of 4-Butoxybenzylamine

There total 6 articles about 4-Butoxybenzylamine 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-butoxybenzonitrile (5203-14-5) → p-n-butoxybenzylamine (21244-35-9)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 2h;

DOI:10.1021/ja00323a048

Reference yield:

4-cyanophenol (767-00-0) → p-n-butoxybenzylamine (21244-35-9)

Guidance literature:

Multi-step reaction with 2 steps

1: K₂CO₃ / acetone / 8 h / Heating

2: LiAlH₄ / diethyl ether / 2 h

With lithium aluminium tetrahydride; potassium carbonate; In diethyl ether; acetone;

DOI:10.1021/ja00323a048

Reference yield:

p-butoxybenzaldehyde (5736-88-9) → p-n-butoxybenzylamine (21244-35-9)

Guidance literature:

With methanol; ammonia; nickel; Hydrogenation;

DOI:10.1016/S1363-4127(00)03005-3

upstream raw materials:

1-butoxy-4-(chloromethyl)benzene

p-butoxybenzaldehyde

4-butoxybenzonitrile

4-cyanophenol

Downstream raw materials:

N-(4-butoxy-benzyl)-β-alanine nitrile

(4-butoxy-benzyl)-(2-phenoxy-ethyl)-amine

C₄₄H₅₁N₅O₅

C₃₆H₃₈N₄O₂

Refernces

• 1、 -. "Method for treating glaucoma". . . Retrieved 2008/06/13.
• 2、 Freudenreich, Charles,Samama, Jean-Pierre,Biellmann, Jean-Francois. "Design of Inhibitors from the Three-Dimensional Structure of Alcohol Dehydrogenase. Chemical Synthesis and Enzymatic Properties". . p. 3344 - 3353. Retrieved 2007/10/02.