5-(4-Hexoxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione

Base Information

• Chemical Name: 5-(4-Hexoxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
• CAS No.: 7061-36-1
• Molecular Formula: C28H29N3O4
• Molecular Weight: 471.5476
• DSSTox Substance ID: DTXSID60414068

Synonyms:7061-36-1;5-(4-hexoxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione;DTXSID60414068

Chemical Property of 5-(4-Hexoxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione

Chemical Property:

• Vapor Pressure: 2.26E-19mmHg at 25°C
• Boiling Point: 679.1°Cat760mmHg
• Flash Point: 364.5°C
• Density: 1.251g/cm³
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 471.21580641
• Heavy Atom Count: 35
• Complexity: 741

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCOC1=CC=C(C=C1)C2C(=C(C3=CC=NC=C3)O)C(=O)C(=O)N2CC4=CN=CC=C4

Technology Process of 5-(4-Hexoxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione

There total 3 articles about 5-(4-Hexoxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione 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: 41.0%

PHT=D,L-Leu-Gly-OMe (21685-35-8) → PHT-D,L-Leu-NH2 (7061-36-1)

Guidance literature:

With nickel(IV) oxide; In benzene; for 4h; Heating;

DOI:10.1016/S0040-4020(97)00216-0

Reference yield:

ammonium hydroxide (1336-21-6) + N-phthaloyl-DL-leucine (19506-89-9) → PHT-D,L-Leu-NH2 (7061-36-1)

Guidance literature:

With dmap; 1,1'-carbonyldiimidazole; In tetrahydrofuran;

Reference yield:

→ PHT-D,L-Leu-NH2 (7061-36-1)

Guidance literature:

entspr. Saeurechlorid, NH3, CHCl3;

DOI:10.1002/ardp.19723050803

upstream raw materials:

PHT=D,L-Leu-Gly-OMe

ammonium hydroxide

N-phthaloyl-DL-leucine

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