6,7-Diethoxy-1-(4-methoxy-3-propan-2-ylphenyl)-1,2,3,4-tetrahydroisoquinoline

Base Information

• Chemical Name: 6,7-Diethoxy-1-(4-methoxy-3-propan-2-ylphenyl)-1,2,3,4-tetrahydroisoquinoline
• CAS No.: 5068-23-5
• Molecular Formula: C23H31NO3
• Molecular Weight: 369.4971
• DSSTox Substance ID: DTXSID80409658
• Mol file: 5068-23-5.mol

Synonyms:5068-23-5;6,7-diethoxy-1-(4-methoxy-3-propan-2-ylphenyl)-1,2,3,4-tetrahydroisoquinoline;DTXSID80409658

Chemical Property of 6,7-Diethoxy-1-(4-methoxy-3-propan-2-ylphenyl)-1,2,3,4-tetrahydroisoquinoline

Chemical Property:

• Vapor Pressure: 1.04E-09mmHg at 25°C
• Boiling Point: 488.9°Cat760mmHg
• Flash Point: 214.3°C
• Density: 1.05g/cm³
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 369.23039385
• Heavy Atom Count: 27
• Complexity: 443

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=C(C=C2C(NCCC2=C1)C3=CC(=C(C=C3)OC)C(C)C)OCC

Technology Process of 6,7-Diethoxy-1-(4-methoxy-3-propan-2-ylphenyl)-1,2,3,4-tetrahydroisoquinoline

There total 4 articles about 6,7-Diethoxy-1-(4-methoxy-3-propan-2-ylphenyl)-1,2,3,4-tetrahydroisoquinoline 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: 88.0%

4-bromo-benzaldehyde (1122-91-4) + Diphenylphosphine oxide (4559-70-0) → (p-formylphenyl)diphenylphosphine oxide (5068-23-5)

Guidance literature:

With triethylamine; for 6h; Reflux;

DOI:10.1002/aoc.6480

Reference yield: 66.0%

4-(triphenylphosphonio)phenolate (102185-58-0) → (p-formylphenyl)diphenylphosphine oxide (5068-23-5)

Guidance literature:

With sodium ethanolate; In ethanol; chloroform; for 0.666667h;

Reference yield: 61.0%

4-formylphenylboronic acid, (87199-17-5) + Diphenylphosphine oxide (4559-70-0) → (p-formylphenyl)diphenylphosphine oxide (5068-23-5)

Guidance literature:

With palladium diacetate; potassium carbonate; 1,4-di(diphenylphosphino)-butane; In 1,4-dioxane; at 90 ℃; for 24h; Green chemistry;

DOI:10.1039/c3ob42470g

upstream raw materials:

4-(triphenylphosphonio)phenolate

4-formylphenylboronic acid,

Diphenylphosphine oxide

4-bromo-benzaldehyde

Downstream raw materials:

4-(diphenylphosphino)benzaldehyde

1-(4-dimethylaminophenyl)-2-(4-diphenylphosphinoylphenyl)ethene

Refernces

• 1、 Fu, Tingting,Qiao, Hongwei,Peng, Zhimin,Hu, Gaobo,Wu, Xueji,Gao, Yuxing,Zhao, Yufen. "Palladium-catalyzed air-based oxidative coupling of arylboronic acids with H-phosphine oxides leading to aryl phosphine oxides". . p. 2895 - 2902. Retrieved 2014/05/06.