3-Methyl-5-phenylmorpholine

Base Information

• Chemical Name: 3-Methyl-5-phenylmorpholine
• CAS No.: 83072-50-8
• Molecular Formula: C₁₁H₁₅NO
• Molecular Weight: 177.246
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID80509708
• Mol file: 83072-50-8.mol

Synonyms:3-methyl-5-phenylmorpholine;83072-50-8;Morpholine,3-methyl-5-phenyl-;SCHEMBL7294639;DTXSID80509708;AKOS014086492;CS-0456047;FT-0660905;EN300-150093

Chemical Property of 3-Methyl-5-phenylmorpholine

Chemical Property:

• PSA: 21.26000
• LogP: 2.06480
• Storage Temp.: 2-8°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 177.115364102
• Heavy Atom Count: 13
• Complexity: 154

Purity/Quality:

99.90% ^*data from raw suppliers

3-Methyl-5-phenylmorpholine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1COCC(N1)C2=CC=CC=C2

Technology Process of 3-Methyl-5-phenylmorpholine

There total 2 articles about 3-Methyl-5-phenylmorpholine 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:

Acetonylphenacylether (76089-33-3) → 3-Methyl-5-phenylmorpholin (83072-50-8)

Guidance literature:

With ammonia; hydrogen; palladium on activated charcoal; In ethanol;

DOI:10.1002/ardp.19823150806

Reference yield:

2-diazo-acetophenone (3282-32-4) → 3-Methyl-5-phenylmorpholin (83072-50-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) BF₃-etherat, 2.) 4-toluenesulfonic acid / 1.) benzene, 15 deg C, 2.) dioxane, reflux, 6 h

2: H₂, NH₃ / Pd/C / ethanol

With boron trifluoride diethyl etherate; ammonia; hydrogen; toluene-4-sulfonic acid; palladium on activated charcoal; In ethanol;

DOI:10.1002/ardp.19823150806

Reference yield:

acetic anhydride (108-24-7) + 3-Methyl-5-phenylmorpholin (83072-50-8) → 4-Acetyl-3-methyl-5-phenylmorpholin (83072-54-2)

Guidance literature:

With sodium carbonate; In benzene; for 15h; Heating;

DOI:10.1002/ardp.19823150806

upstream raw materials:

Acetonylphenacylether

2-diazo-acetophenone

Downstream raw materials:

4-Acetyl-3-methyl-5-phenylmorpholin

Refernces