N-(2-Bromo-4,5-dicyanophenyl)-4-(undecyloxy)benzamide

Base Information

• Chemical Name: N-(2-Bromo-4,5-dicyanophenyl)-4-(undecyloxy)benzamide
• CAS No.: 655225-09-5
• Molecular Formula: C₂₆H₃₀BrN₃O₂
• Molecular Weight: 496.447
• DSSTox Substance ID: DTXSID10514901
• Wikidata: Q82375471
• Mol file: 655225-09-5.mol

Synonyms:655225-09-5;N-(2-BROMO-4,5-DICYANOPHENYL)-4-(UNDECYLOXY)BENZAMIDE;DTXSID10514901

Chemical Property of N-(2-Bromo-4,5-dicyanophenyl)-4-(undecyloxy)benzamide

Chemical Property:

• XLogP3: 7.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 13
• Exact Mass: 495.15214
• Heavy Atom Count: 32
• Complexity: 644

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCOC1=CC=C(C=C1)C(=O)NC2=C(C=C(C(=C2)C#N)C#N)Br

Technology Process of N-(2-Bromo-4,5-dicyanophenyl)-4-(undecyloxy)benzamide

There total 1 articles about N-(2-Bromo-4,5-dicyanophenyl)-4-(undecyloxy)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: 71.0%

4-undecyloxybenzoyl chloride (67590-11-8) + 4-amino-5-bromophthalodinitrile (115753-34-9) → 4-bromo-5-(4-undecyloxybenzoylamino)phthalonitrile (655225-09-5)

Guidance literature:

at 150 ℃; for 1.5h;

DOI:10.1023/B:RUGC.0000025520.29732.9e

Reference yield: 37.0%

4-bromo-5-(4-undecyloxybenzoylamino)phthalonitrile (655225-09-5) → copper 2,9,16,23-tetrabtomo-3,10,17,24-tetrakis[4-(undecyloxy)benzoylamino]phthalocyanine

Guidance literature:

With copper salt; at 190 - 200 ℃; for 1h;

DOI:10.1023/B:RUGC.0000025520.29732.9e

Reference yield: 37.0%

4-bromo-5-(4-undecyloxybenzoylamino)phthalonitrile (655225-09-5) + copper(II) ion → copper tetra-4-bromotetra-5-(4-undecyloxybenzoylamino)phthalocyanine (769970-42-5)

Guidance literature:

In melt; phthalonitrile and Cu salt (molar ratio 3.57:1) fused in sealed ampoule at 190-200°C for 1 h; ground; washed successively with 3% HCl, water, 5% aq. Na2CO3 and water;purified by column chromy. (silica gel, CHCl3); elem. anal.;

DOI:10.1023/B:RUGC.0000025520.29732.9e

upstream raw materials:

4-undecyloxybenzoyl chloride

4-amino-5-bromophthalodinitrile

Downstream raw materials:

cobalt tetra-4-bromotetra-5-(4-undecyloxybenzoylamino)phthalocyanine

copper tetra-4-bromotetra-5-(4-undecyloxybenzoylamino)phthalocyanine