4-[3-(4-tert-Butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine

Base Information

• Chemical Name: 4-[3-(4-tert-Butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine
• CAS No.: 67306-03-0
• Molecular Formula: C20H33 N O
• Molecular Weight: 303.488
• Hs Code.: 29349990
• European Community (EC) Number: 266-639-4
• DSSTox Substance ID: DTXSID001015622
• Nikkaji Number: J21.612G
• Wikidata: Q27121925
• Mol file: 67306-03-0.mol

Synonyms:4-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)-2,6-dimethylmorpholine;fenpropimorph

Chemical Property of 4-[3-(4-tert-Butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine

Chemical Property:

• Vapor Pressure: 2.25E-06mmHg at 25°C
• Melting Point: 25°C
• Refractive Index: 1.489
• Boiling Point: 392.7 °C at 760 mmHg
• Flash Point: 115.6 °C
• PSA: 12.47000
• Density: 0.928 g/cm³
• LogP: 4.20980
• Storage Temp.: 0-6°C
• Water Solubility.: 4.3mg/L(temperature not stated)
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 303.256214676
• Heavy Atom Count: 22
• Complexity: 317

Purity/Quality:

98%,99%, ^*data from raw suppliers

FENPROPIMORPH 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CN(CC(O1)C)CC(C)CC2=CC=C(C=C2)C(C)(C)C

Technology Process of 4-[3-(4-tert-Butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine

There total 6 articles about 4-[3-(4-tert-Butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine 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: 35.0%

3-(4-(tert-butyl)phenyl)-1-(2,6-dimethylmorpholino)-2-methylpropan-1-one → Fenpropimorph (67306-03-0,91269-52-2,76492-89-2)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 12h; Schlenk technique; Sealed tube; Inert atmosphere; Reflux;

DOI:10.1039/d1cc02261j

Reference yield:

2,6-dimethyl morpholine (141-91-3) + p-tert-butyl-α-methyl-3-phenylprop-2-enal (13586-68-0) → Fenpropimorph (67306-03-0,91269-52-2,76492-89-2)

Guidance literature:

With hydrogen; at 60 ℃; for 20h; under 7600.51 Torr; Solvent; Ionic liquid;

DOI:10.1021/op050172m

Reference yield:

2,6-dimethyl morpholine (141-91-3) + lilial (80-54-6) → Fenpropimorph (67306-03-0,91269-52-2,76492-89-2)

Guidance literature:

With hydrogen; at 20 ℃; for 16h; under 7600.51 Torr; Reagent/catalyst; Solvent; Ionic liquid; Inert atmosphere;

DOI:10.1021/op050172m

upstream raw materials:

4-[3-(4-tert-butyl-phenyl)-2-methyl-propenyl]-2,6-dimethyl-morpholine

2,6-dimethyl morpholine

p-tert-butyl-α-methyl-3-phenylprop-2-enal

1-tert-butyl-4-iodobenzene

Downstream raw materials:

4-[3-(4-tert-butyl-phenyl)-2-methyl-propyl]-2,6-dimethyl-morpholine 4-oxide

Refernces

• 1、 Forsyth, Stewart A.,Gunaratne, H. Q. Nimal,Hardacre, Christopher,McKeown, Angela,Rooney, David W.. "One-pot multistep synthetic strategies for the production of fenpropimorph using an ionic liquid solvent". . p. 94 - 102. Retrieved 2012/12/21.
• 2、 -. "Chemoenzymatic process for production of S fenpropimorph". . . Retrieved 2008/06/13.