Morpholinium, 4,4'-((1,1'-biphenyl)-4,4'-diylbis(2-oxo-2,1-ethanediyl))bis(2,4-dimethyl-, dibromide

Base Information

• Chemical Name: Morpholinium, 4,4'-((1,1'-biphenyl)-4,4'-diylbis(2-oxo-2,1-ethanediyl))bis(2,4-dimethyl-, dibromide
• CAS No.: 123489-68-9
• Molecular Formula: C28H38 N2 O4 . 2 Br
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID40924514
• Mol file: 123489-68-9.mol

Synonyms:123489-68-9;4,4'-Bis((2-methyl-2,3,5,6-tetrahydro-1,4-oxazin-4-yl)acetyl)biphenyl dimethiobromide;Morpholinium, 4,4'-((1,1'-biphenyl)-4,4'-diylbis(2-oxo-2,1-ethanediyl))bis(2,4-dimethyl-, dibromide;2-(2,4-dimethylmorpholin-4-ium-4-yl)-1-[4-[4-[2-(2,4-dimethylmorpholin-4-ium-4-yl)acetyl]phenyl]phenyl]ethanone;dibromide;DTXSID40924514;OEKRSOOXEYGGCG-UHFFFAOYSA-L;4,4'-[[1,1'-Biphenyl]-4,4'-diylbis(2-oxoethane-2,1-diyl)]bis(2,4-dimethylmorpholin-4-ium) dibromide

Chemical Property of Morpholinium, 4,4'-((1,1'-biphenyl)-4,4'-diylbis(2-oxo-2,1-ethanediyl))bis(2,4-dimethyl-, dibromide

Chemical Property:

• PSA: 52.60000
• LogP: -2.62480
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 626.11778
• Heavy Atom Count: 36
• Complexity: 653

Purity/Quality:

99% ^*data from raw suppliers

4,4'-BIS((2-METHYL-2,3,5,6-TETRAHYDRO-1,4-OXAZIN-4-YL)ACETYL)BIPHENYL DIMETHIOBROMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C[N+](CCO1)(C)CC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)C[N+]4(CCOC(C4)C)C.[Br-].[Br-]

Technology Process of Morpholinium, 4,4'-((1,1'-biphenyl)-4,4'-diylbis(2-oxo-2,1-ethanediyl))bis(2,4-dimethyl-, dibromide

There total 2 articles about Morpholinium, 4,4'-((1,1'-biphenyl)-4,4'-diylbis(2-oxo-2,1-ethanediyl))bis(2,4-dimethyl-, dibromide 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: 89.0%

2,4-dimethyltetrahydro-1,4-oxazine (59229-58-2) + 4,4'-bis(bromoacetyl)biphenyl (4072-67-7) → 4,4'-bis<(2-methyl-2,3,5,6-tetrahydro-1,4-oxazine-4-yl)acetyl>biphenyl dimethiobromide (123489-68-9)

Guidance literature:

In water; acetonitrile; for 4h; Ambient temperature;

DOI:10.1021/jm00164a017

Reference yield:

2-methylmorpholine (27550-90-9) → 4,4'-bis<(2-methyl-2,3,5,6-tetrahydro-1,4-oxazine-4-yl)acetyl>biphenyl dimethiobromide (123489-68-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 68 percent / 95percent formic acid / H₂O / 24 h / Heating

2: 89 percent / acetonitrile; H₂O / 4 h / Ambient temperature

With formic acid; In water; acetonitrile;

DOI:10.1021/jm00164a017

upstream raw materials:

2,4-dimethyltetrahydro-1,4-oxazine

4,4'-bis(bromoacetyl)biphenyl

2-methylmorpholine

Refernces