2-(2,6-Dimethylphenoxy)propan-1-amine

Base Information

• Chemical Name: 2-(2,6-Dimethylphenoxy)propan-1-amine
• CAS No.: 26583-71-1
• Molecular Formula: C₁₁H₁₇NO
• Molecular Weight: 179.262
• UNII: EV5U95DPG4
• Mol file: 26583-71-1.mol

Synonyms:26583-71-1;2-(2,6-dimethylphenoxy)propan-1-amine;1-Propanamine, 2-(2,6-dimethylphenoxy)-;EV5U95DPG4;2-(2,6-Dimethylphenoxy)-1-propanamine;Propylamine, 2-(2,6-xylyloxy)-;2-((1-Aminopropan-2-yl)oxy)-1,3-dimethylbenzene;MEXILETINE IMPURITY D;UNII-EV5U95DPG4;SCHEMBL5591554;AKOS010957519;Mexiletine hydrochloride impurity D [EP];2-(2, 6-dimethylphenoxy)propan-1-amine;MEXILETINE HYDROCHLORIDE IMPURITY D [EP IMPURITY]

Chemical Property of 2-(2,6-Dimethylphenoxy)propan-1-amine

Chemical Property:

• Boiling Point: 126-128 °C(Press: 13 Torr)
• PKA: 8.56±0.10(Predicted)
• Density: 0.979±0.06 g/cm3(Predicted)
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 179.131014166
• Heavy Atom Count: 13
• Complexity: 139

Purity/Quality:

99% ^*data from raw suppliers

2-(2,6-Dimethylphenoxy)-1-propanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)C)OC(C)CN
• Uses: 2-(2,6-Dimethylphenoxy)-1-propanamine is an impurity compound of Mexiletine (M340800), an antiarrhythmic (class IB).

Technology Process of 2-(2,6-Dimethylphenoxy)propan-1-amine

There total 3 articles about 2-(2,6-Dimethylphenoxy)propan-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:

2-(2,6-Dimethyl-phenoxy)-propionsaeurenitril (124317-15-3) → 2-(2,6-dimethylphenoxy)-1-propanamine (26583-71-1)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; Heating;

DOI:10.1021/jm00342a017

Reference yield:

2.6-dimethylphenol (576-26-1,25134-01-4) → 2-(2,6-dimethylphenoxy)-1-propanamine (26583-71-1)

Guidance literature:

Multi-step reaction with 2 steps

1: K₂CO₃ / butan-2-one / Heating

2: LiAlH₄ / diethyl ether / Heating

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

DOI:10.1021/jm00342a017

Reference yield:

→ 2-(2,6-dimethylphenoxy)-1-propanamine (26583-71-1)

Guidance literature:

entspr.Phthalimid, N2H4;

upstream raw materials:

2-(2,6-Dimethyl-phenoxy)-propionsaeurenitril

2.6-dimethylphenol

Downstream raw materials:

2-(2,6-Dimethylphenoxy)propylguanidin

Refernces