N~1~-(2-Aminophenyl)-N~8~-[(3'-{4-[4-(hydroxymethyl)phenyl]-6-[(3-hydroxypyrrolidin-1-yl)methyl]-1,3-dioxan-2-yl}[1,1'-biphenyl]-3-yl)methyl]octanediimidic acid

Base Information

• Chemical Name: N~1~-(2-Aminophenyl)-N~8~-[(3'-{4-[4-(hydroxymethyl)phenyl]-6-[(3-hydroxypyrrolidin-1-yl)methyl]-1,3-dioxan-2-yl}[1,1'-biphenyl]-3-yl)methyl]octanediimidic acid
• CAS No.: 5216-82-0
• Molecular Formula: C43H52N4O6
• Molecular Weight: 720.8962
• DSSTox Substance ID: DTXSID80966519
• Mol file: 5216-82-0.mol

Synonyms:DTXSID80966519;N~1~-(2-Aminophenyl)-N~8~-[(3'-{4-[4-(hydroxymethyl)phenyl]-6-[(3-hydroxypyrrolidin-1-yl)methyl]-1,3-dioxan-2-yl}[1,1'-biphenyl]-3-yl)methyl]octanediimidic acid

Chemical Property of N~1~-(2-Aminophenyl)-N~8~-[(3'-{4-[4-(hydroxymethyl)phenyl]-6-[(3-hydroxypyrrolidin-1-yl)methyl]-1,3-dioxan-2-yl}[1,1'-biphenyl]-3-yl)methyl]octanediimidic acid

Chemical Property:

• Boiling Point: 985°Cat760mmHg
• Flash Point: 549.5°C
• Density: 1.234g/cm³
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 16
• Exact Mass: 720.38868539
• Heavy Atom Count: 53
• Complexity: 1100

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CC1O)CC2CC(OC(O2)C3=CC=CC(=C3)C4=CC=CC(=C4)CNC(=O)CCCCCCC(=O)NC5=CC=CC=C5N)C6=CC=C(C=C6)CO

Technology Process of N~1~-(2-Aminophenyl)-N~8~-[(3'-{4-[4-(hydroxymethyl)phenyl]-6-[(3-hydroxypyrrolidin-1-yl)methyl]-1,3-dioxan-2-yl}[1,1'-biphenyl]-3-yl)methyl]octanediimidic acid

There total 1 articles about N~1~-(2-Aminophenyl)-N~8~-[(3'-{4-[4-(hydroxymethyl)phenyl]-6-[(3-hydroxypyrrolidin-1-yl)methyl]-1,3-dioxan-2-yl}[1,1'-biphenyl]-3-yl)methyl]octanediimidic acid 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: 92.0%

piperonal (120-57-0,30024-74-9) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → (E)-2-(benzo[d][1,3]dioxol-5-ylmethylene)cyclohexanone (105702-16-7) + α,α'-bis(3,4-methylenedioxybenzylidene)cyclohexanone (5216-82-0)

Guidance literature:

With sodium hydroxide;

Reference yield: 56.0%

N-[(3-phenyl-4-methyl-6-coumarinoyl)methyl]pyridinium bromide + α,α'-bis(3,4-methylenedioxybenzylidene)cyclohexanone (5216-82-0) → 6-{4-Benzo[1,3]dioxol-5-yl-8-[1-benzo[1,3]dioxol-5-yl-meth-(E)-ylidene]-5,6,7,8-tetrahydro-quinolin-2-yl}-4-methyl-3-phenyl-chromen-2-one

Guidance literature:

With ammonium acetate; acetic acid; for 6h; Heating;

upstream raw materials:

piperonal

cyclohexanone