9-(1-Ethylpropyl)-1H-2-benzopyrano[6',5',4':10,5,6]anthra[2,1,9-def]isoquinoline-1,3,8,10(9H)-tetrone

Base Information

• Chemical Name: 9-(1-Ethylpropyl)-1H-2-benzopyrano[6',5',4':10,5,6]anthra[2,1,9-def]isoquinoline-1,3,8,10(9H)-tetrone
• CAS No.: 522647-62-7
• Molecular Formula: C₂₉H₁₉NO₅
• Molecular Weight: 461.474
• DSSTox Substance ID: DTXSID201113052
• Mol file: 522647-62-7.mol

Synonyms:DTXSID201113052;522647-62-7;9-(1-Ethylpropyl)-1H-2-benzopyrano[6',5',4':10,5,6]anthra[2,1,9-def]isoquinoline-1,3,8,10(9H)-tetrone

Chemical Property of 9-(1-Ethylpropyl)-1H-2-benzopyrano[6',5',4':10,5,6]anthra[2,1,9-def]isoquinoline-1,3,8,10(9H)-tetrone

Chemical Property:

• XLogP3: 6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 461.12632271
• Heavy Atom Count: 35
• Complexity: 906

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CC)N1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C5=C6C4=CC=C7C6=C(C=C5)C(=O)OC7=O)C1=O

Technology Process of 9-(1-Ethylpropyl)-1H-2-benzopyrano[6',5',4':10,5,6]anthra[2,1,9-def]isoquinoline-1,3,8,10(9H)-tetrone

There total 1 articles about 9-(1-Ethylpropyl)-1H-2-benzopyrano[6',5',4':10,5,6]anthra[2,1,9-def]isoquinoline-1,3,8,10(9H)-tetrone 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:

N,N'-bis(1-ethylpropyl)-3,4:9,10-perylenebis(dicarboximide) (110590-81-3) → perylene-3,4,9,10-tetracarboxylic acid 3,4:9,10-dianhydride (128-69-8) + 9-(1-ethylpropyl)-1H-2-benzopyrano[6',5',4':10,5,6]anthra[2,1,9-def]isoquinoline-1,3,8,10(9H)-tetraone (522647-62-7)

Guidance literature:

With potassium hydroxide; In tert-butyl alcohol; for 0.5h; Title compound not separated from byproducts.; Heating;

DOI:10.1002/chem.200600901

Reference yield: 92.0%

p-aminoiodobenzene (540-37-4) + 9-(1-ethylpropyl)-1H-2-benzopyrano[6',5',4':10,5,6]anthra[2,1,9-def]isoquinoline-1,3,8,10(9H)-tetraone (522647-62-7) → N-(1-ethylpropyl)-N'-(4-iodophenyl)perylene diimide

Guidance literature:

With 1H-imidazole; zinc diacetate; at 160 ℃; for 1h;

DOI:10.1021/ja0390909

Reference yield: 69.0%

(1S)-(2,4-dibromophenoxymethyl)-3-methylbutylamine (781650-78-0) + 9-(1-ethylpropyl)-1H-2-benzopyrano[6',5',4':10,5,6]anthra[2,1,9-def]isoquinoline-1,3,8,10(9H)-tetraone (522647-62-7) → N-(1-ethylpropyl)-N'-[(1S)-(2,4-dibromophenoxymethyl)-3-methylbutyl]perylene-3,4:9,10-tetracarboxylic bisimide (781650-79-1)

Guidance literature:

In N,N-dimethyl-formamide; at 140 - 160 ℃; for 19.5h;

DOI:10.1002/chem.200400097

upstream raw materials:

N,N'-bis(1-ethylpropyl)-3,4:9,10-perylenebis(dicarboximide)

Downstream raw materials:

N-(1-ethylpropyl)-N'-(4-amino-2,5-di-tert-butylphenyl)perylene-3,4:9,10-tetracarboxylic diimide

N-(1-ethylpropyl)-N'-[(1S)-(2,4-dibromophenoxymethyl)-3-methylbutyl]perylene-3,4:9,10-tetracarboxylic bisimide

N-(1-ethylpropyl)-N'-[(1S)-(2,5-dibromo-4-(2-ethylhexyloxy)phenoxymethyl)-3-methylbutyl]perylene-3,4:9,10-tetracarboxylic bisimide