NT2 Purpurin

Base Information

• Chemical Name: NT2 Purpurin
• CAS No.: 99128-91-3
• Molecular Formula: C₄₁H₅₂N₄O₂
• Molecular Weight: 632.889
• Nikkaji Number: J430.489F
• ChEMBL ID: CHEMBL366953
• Mol file: 99128-91-3.mol

Synonyms:NT-2 purpurin;NT2 purpurin;purpurin NT 2

Chemical Property of NT2 Purpurin

Chemical Property:

• Vapor Pressure: 1.53E-31mmHg at 25°C
• Boiling Point: 880.5°Cat760mmHg
• Flash Point: 486.3°C
• PSA: 82.60000
• Density: 1.115g/cm³
• LogP: 6.63300
• XLogP3: 9.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 11
• Exact Mass: 632.40902691
• Heavy Atom Count: 47
• Complexity: 1110

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1C2=NC3=C(C=C(C13CC)C(=O)OCC)C4=NC(=CC5=C(C(=C(N5)C=C6C(=C(C(=C2)N6)CC)CC)CC)CC)C(=C4CC)CC

Technology Process of NT2 Purpurin

There total 1 articles about NT2 Purpurin 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: 68.0%

meso-<β-(ethoxycarbonyl)vinyl>octaethylporphyrin (61354-68-5) → C41H52N4O2 (99128-91-3)

Guidance literature:

With acetic acid; for 24h; Heating;

DOI:10.1021/jo00358a035

upstream raw materials:

meso-<β-(ethoxycarbonyl)vinyl>octaethylporphyrin

Refernces