N-butyl-6-(2,4,6-trimethylphenoxy)hexan-1-amine

Base Information

• Chemical Name: N-butyl-6-(2,4,6-trimethylphenoxy)hexan-1-amine
• CAS No.: 5531-37-3
• Molecular Formula: C₁₂H₂₃NO
• Molecular Weight: 197.321
• DSSTox Substance ID: DTXSID50367211
• Wikidata: Q82152902

Synonyms:5531-37-3;N-butyl-6-(2,4,6-trimethylphenoxy)hexan-1-amine;DTXSID50367211

Chemical Property of N-butyl-6-(2,4,6-trimethylphenoxy)hexan-1-amine

Chemical Property:

• Vapor Pressure: 1.24E-06mmHg at 25°C
• Boiling Point: 400.7°Cat760mmHg
• Flash Point: 178.7°C
• Density: 0.911g/cm³
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 11
• Exact Mass: 291.256214676
• Heavy Atom Count: 21
• Complexity: 232

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCNCCCCCCOC1=C(C=C(C=C1C)C)C

Technology Process of N-butyl-6-(2,4,6-trimethylphenoxy)hexan-1-amine

There total 2 articles about N-butyl-6-(2,4,6-trimethylphenoxy)hexan-1-amine 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:

Cyclohexylmethyl bromide (2550-36-9) → N-(1,1-Dimethyl-2-cyclohexylaethyl)-acetamid (5531-37-3)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) Mg, Et₂O, (ii) /BRN= 635680/

2: (i) H₂SO₄, AcOH, (ii) /BRN= 2345931/

DOI:10.1002/jps.2600550108

Reference yield:

2-cyclohexyl-1,1-dimethyl ethanol (5531-30-6) + acetonitrile (75-05-8,26809-02-9) → N-(1,1-Dimethyl-2-cyclohexylaethyl)-acetamid (5531-37-3)

Guidance literature:

Multistep reaction; (i) H₂SO₄, AcOH, (ii) /BRN= 2345931/;

DOI:10.1002/jps.2600550108

Reference yield:

N-(1,1-Dimethyl-2-cyclohexylaethyl)-acetamid (5531-37-3) → N-(1,1-Dimethyl-2-cyclohexylaethyl)-N-aethyl-amin (5368-89-8)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; Heating;

DOI:10.1002/jps.2600550108

upstream raw materials:

2-cyclohexyl-1,1-dimethyl ethanol

acetonitrile

Cyclohexylmethyl bromide

Downstream raw materials:

N-(1,1-Dimethyl-2-cyclohexylaethyl)-N-aethyl-amin

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