Agn-PC-008kpt

Base Information

• Chemical Name: Agn-PC-008kpt
• CAS No.: 171523-04-9
• Molecular Formula: C31H26N2O2
• Molecular Weight: 458.56
• DSSTox Substance ID: DTXSID80464969
• Nikkaji Number: J1.475.908E
• Wikidata: Q82290569
• Mol file: 171523-04-9.mol

Synonyms:AGN-PC-008KPT;171523-04-9;SCHEMBL14282584;DTXSID80464969

Chemical Property of Agn-PC-008kpt

Chemical Property:

• XLogP3: 7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 458.199428076
• Heavy Atom Count: 35
• Complexity: 664

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)C2=CC=C(N2)C(C3=CC=CC=C3)C4=CC=C(N4)C(=O)C5=CC=C(C=C5)C

Technology Process of Agn-PC-008kpt

There total 13 articles about Agn-PC-008kpt 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: 95.0%

dibutyl[5,10-dihydro-1,9-bis(4-methylbenzoyl)-5-phenyldipyrrinato]tin(IV) (816454-44-1) → 1,9-bis-(4-methylbenzoyl)-5-phenyldipyrromethane (171523-04-9)

Guidance literature:

With trifluoroacetic acid; In hexanes; at 20 ℃; for 0.166667h;

Reference yield: 90.0%

10-(9-borabicyclo[3.3.1]non-9-yl)-5-phenyl-1,9-di-p-toluoyldipyrromethane (871822-73-0) → 1,9-bis-(4-methylbenzoyl)-5-phenyldipyrromethane (171523-04-9)

Guidance literature:

With pentan-1-ol; In tetrahydrofuran; for 1h; Product distribution / selectivity; Heating / reflux;

Reference yield: 90.0%

(1-(9-bora-bicyclo[3.3.1]non-9-yl)-5-{[5-(4-methyl-benzoyl)-1H-pyrrol-2-yl]-phenyl-methyl}-1H-pyrrol-2-yl)-p-tolyl-methanone (816454-52-1) → 1,9-bis-(4-methylbenzoyl)-5-phenyldipyrromethane (171523-04-9)

Guidance literature:

With pentan-1-ol; In tetrahydrofuran; for 1h; Heating;

DOI:10.1021/jo048587d

upstream raw materials:

4-methyl-benzoyl chloride

5-phenyldipyrromethane

1-(p-methylbenzoyl)-5-phenyldipyrromethane

morpholino(p-tolyl)methanone

Downstream raw materials:

1,9-bis[α-hydroxy-α-(p-tolyl)methyl]-5-phenyldipyrromethane

dibutyl[5,10-dihydro-1,9-bis(4-methylbenzoyl)-5-phenyldipyrrinato]tin(IV)

5,15-bis-(4-methylphenyl)-10,20-diphenyl-porphyrin