Agn-PC-0N88DE

Base Information

Chemical Name:Agn-PC-0N88DE
CAS No.:307930-85-4
Molecular Formula:C37H37IN2O2
Molecular Weight:668.617
Hs Code.:
DSSTox Substance ID:DTXSID90442955
Nikkaji Number:J1.475.917D
Wikidata:Q82260585

Synonyms:AGN-PC-0N88DE;307930-85-4;DTXSID90442955;2,2'-(4-Iodobenzylidene)bis[5-(4-tert-butylbenzoyl)-1H-pyrrole]

Suppliers and Price of Agn-PC-0N88DE

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Agn-PC-0N88DE

Chemical Property:

XLogP3:10.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:9
Exact Mass:668.18998
Heavy Atom Count:42
Complexity:849

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Agn-PC-0N88DE

There total 1 articles about Agn-PC-0N88DE 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: 44.0%

: 159152-12-2
5-(4-iodophenyl)dipyrromethane

: 1710-98-1
p-tert-butyl benzoyl chloride

: (4-tert-butyl-phenyl)-{5-[(4-iodo-phenyl)-(1H-pyrrol-2-yl)-methyl]-1H-pyrrol-2-yl}-methanone

: 307930-85-4
1,9-bis(4-tert-butylbenzoyl)-5-(4-iodophenyl)dipyrromethane

Guidance literature:: 5-(4-iodophenyl)dipyrromethane; With ethylmagnesium bromide; In toluene; at 20 ℃; for 0.5h;

p-tert-butyl benzoyl chloride; In toluene; at 20 ℃; for 0.166667h;
DOI:10.1021/jo000882k

Reference yield:

: 307930-85-4
1,9-bis(4-tert-butylbenzoyl)-5-(4-iodophenyl)dipyrromethane

: (4-tert-butyl-phenyl)-{5-[{5-[(4-tert-butyl-phenyl)-hydroxy-methyl]-1H-pyrrol-2-yl}-(4-iodo-phenyl)-methyl]-1H-pyrrol-2-yl}-methanol

Guidance literature:: With sodium tetrahydroborate; In tetrahydrofuran; methanol; at 20 ℃; for 0.666667h;
DOI:10.1021/jo000882k

Reference yield:

: 307930-85-4
1,9-bis(4-tert-butylbenzoyl)-5-(4-iodophenyl)dipyrromethane

: 5-{4-[2-(trimethylsilyl)ethoxycarbonyl]phenyl}-15-(4-iodophenyl)-10,20-bis(4-tert-butylphenyl)porphyrin

Guidance literature:: Multi-step reaction with 2 steps

1.1: NaBH₄ / tetrahydrofuran; methanol / 0.67 h / 20 °C

2.1: TFA / acetonitrile / 0.08 h / 20 °C

2.2: 0.90 g / DDQ / acetonitrile / 1 h / 20 °C

With sodium tetrahydroborate; trifluoroacetic acid; In tetrahydrofuran; methanol; acetonitrile; 1.1: Reduction / 2.1: Condensation / 2.2: Oxidation;
DOI:10.1021/jo000882k