Dibenzyl 5,5'-[(3,4-diethyl-1H-pyrrole-2,5-diyl)bis(methylene)]bis[4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carboxylate]

Base Information

Chemical Name:Dibenzyl 5,5'-[(3,4-diethyl-1H-pyrrole-2,5-diyl)bis(methylene)]bis[4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carboxylate]
CAS No.:149365-59-3
Molecular Formula:C₄₄H₅₁N₃O₈
Molecular Weight:749.904
Hs Code.:
DSSTox Substance ID:DTXSID40442622
Wikidata:Q82259998

Synonyms:149365-59-3;1H-Pyrrole-3-propanoic acid, 2,2'-[(3,4-diethyl-1H-pyrrole-2,5-diyl)bis(methylene)]bis[4-methyl-5-[(phenylmethoxy)carbonyl]-, dimethyl ester (9CI);SCHEMBL7634326;DTXSID40442622;JALCMIKHVMIZKG-UHFFFAOYSA-N;benzyl 5-[[3,4-diethyl-5-[[3-(3-methoxy-3-oxopropyl)-4-methyl-5-phenylmethoxycarbonyl-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]methyl]-4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carboxylate;Dibenzyl 5,5'-[(3,4-diethyl-1H-pyrrole-2,5-diyl)bis(methylene)]bis[4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carboxylate];2,5 -Bis [(5 -benzyloxycarbonyl-4-methyl-3 -methoxycarbonylethylpyrrol-2-yl)methyl]-3,4-diethylpyrrole;2,5-Bis[(5-benzyloxycarbonyl-4-methyl-3-methoxycarbonylethylpyrrol-2-yl)methyl]-3,4-diethylpyrrole

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Chemical Property of Dibenzyl 5,5'-[(3,4-diethyl-1H-pyrrole-2,5-diyl)bis(methylene)]bis[4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carboxylate]

Chemical Property:

XLogP3:8.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:22
Exact Mass:749.36761559
Heavy Atom Count:55
Complexity:1150

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC1=C(NC(=C1CC)CC2=C(C(=C(N2)C(=O)OCC3=CC=CC=C3)C)CCC(=O)OC)CC4=C(C(=C(N4)C(=O)OCC5=CC=CC=C5)C)CCC(=O)OC

Technology Process of Dibenzyl 5,5'-[(3,4-diethyl-1H-pyrrole-2,5-diyl)bis(methylene)]bis[4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carboxylate]

There total 1 articles about Dibenzyl 5,5'-[(3,4-diethyl-1H-pyrrole-2,5-diyl)bis(methylene)]bis[4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carboxylate] 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: 84.0%

: 16200-52-5
3,4-diethyl-1H-pyrrole

: 859-38-1
benzyl 5-acetoxymethyl-4-(2-methoxycarbonylethyl)-3-methylpyrrole-2-carboxylate

: 149365-59-3
2,5-bis<<5-(benzyloxycarbonyl)-3-<2-(methoxycarbonyl)ethyl>-4-methylpyrrol-2-yl>methyl>-3,4-diethylpyrrole

Guidance literature:: With toluene-4-sulfonic acid; In methanol; at 60 ℃; for 12h;
DOI:10.1021/jo951870f

Reference yield:

: 149365-59-3
2,5-bis<<5-(benzyloxycarbonyl)-3-<2-(methoxycarbonyl)ethyl>-4-methylpyrrol-2-yl>methyl>-3,4-diethylpyrrole

: 7,8-diethyl-3,12-bis<2-(methoxycarbonyl)ethyl>-2,13-dimethyl-17,18-diphenylporphyrin

Guidance literature:: Multi-step reaction with 2 steps

1: Et₃N, H₂ / Pd-C / tetrahydrofuran / 10 h / Ambient temperature

2: 16 percent / K₃Fe(CN)6 / methanol / 6 h / Heating

With hydrogen; triethylamine; potassium hexacyanoferrate(III); palladium on activated charcoal; In tetrahydrofuran; methanol;
DOI:10.1021/jo951870f