2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-pentylbenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide

Base Information

• Chemical Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-pentylbenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide
• CAS No.: 5899-36-5
• Molecular Formula: C₁₀H₁₄BCl₂N
• Molecular Weight: 229.945
• DSSTox Substance ID: DTXSID90411287
• Wikidata: Q82217879

Synonyms:5899-36-5;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-pentylbenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide;DTXSID90411287

Chemical Property of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-pentylbenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide

Chemical Property:

• Vapor Pressure: 8.05E-19mmHg at 25°C
• Boiling Point: 688.7°C at 760 mmHg
• Flash Point: 370.3°C
• Density: 1.191g/cm³
• XLogP3: 6.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 532.28382640
• Heavy Atom Count: 40
• Complexity: 797

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NCC5=CN=CC=C5

Technology Process of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-pentylbenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide

There total 1 articles about 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-pentylbenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide 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:

2,6-(C2H5)2C6H3NH2*BCl3 → Cl2BNHC6H3-2,6-(C2H5)2 (5899-36-5)

Guidance literature:

(heating);

DOI:10.1039/j19660000479

Reference yield:

Cl2BNHC6H3-2,6-(C2H5)2 (5899-36-5) → B-dichloro-N-(tris-2,6-diethylphenyl)-borazine (5801-33-2)

Guidance literature:

With triethylamine;

DOI:10.1039/j19660000479

Reference yield:

Cl2BNHC6H3-2,6-(C2H5)2 (5899-36-5) → B-Dihydroxy-N-tris-(2.6-diethylphenyl)-borazol (5801-34-3)

Guidance literature:

Multistep reaction; (i) Et₃N, toluene, (ii) aq. HCl;

DOI:10.1039/j19660000479

Downstream raw materials:

B-dichloro-N-(tris-2,6-diethylphenyl)-borazine

B-Dihydroxy-N-tris-(2.6-diethylphenyl)-borazol

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