(5E)-1-phenyl-5-[(1-phenyl-1H-pyrrol-2-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Base Information

Chemical Name:(5E)-1-phenyl-5-[(1-phenyl-1H-pyrrol-2-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
CAS No.:6437-21-4
Molecular Formula:C22H25 N3 O2
Molecular Weight:373.4277
Hs Code.:
DSSTox Substance ID:DTXSID80366732
Wikidata:Q82152105

Synonyms:6437-21-4;ZINC01171137;DTXSID80366732;STK003716;AKOS000326401;BIM-0049963.P001;(5E)-1-phenyl-5-[(1-phenyl-1H-pyrrol-2-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Suppliers and Price of (5E)-1-phenyl-5-[(1-phenyl-1H-pyrrol-2-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of (5E)-1-phenyl-5-[(1-phenyl-1H-pyrrol-2-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Chemical Property:

Density:1.3g/cm³
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:373.08849790
Heavy Atom Count:27
Complexity:635

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)N2C=CC=C2C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC=C4
Isomeric SMILES:C1=CC=C(C=C1)N2C=CC=C2/C=C/3\C(=O)NC(=S)N(C3=O)C4=CC=CC=C4

Technology Process of (5E)-1-phenyl-5-[(1-phenyl-1H-pyrrol-2-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

There total 4 articles about (5E)-1-phenyl-5-[(1-phenyl-1H-pyrrol-2-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione 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: 74.0%

: 6560-24-3
1-(4-Benzyl-piperazin-1-yl)-2-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)-ethane-1,2-dione

: 6437-21-4
7-[2-(4-Benzyl-piperazin-1-yl)-ethyl]-5H-[1,3]dioxolo[4,5-f]indole

Guidance literature:: With lithium aluminium tetrahydride; In tetrahydrofuran; Heating;
DOI:10.1002/jhet.5570200438

Reference yield:

: 15794-43-1
6,β-dinitro-3,4-methylenedioxystyrene

: 6437-21-4
7-[2-(4-Benzyl-piperazin-1-yl)-ethyl]-5H-[1,3]dioxolo[4,5-f]indole

Guidance literature:: Multi-step reaction with 4 steps

1: 64 percent / H₂ / 10percent Pd/C / ethanol; acetic acid; ethyl acetate / 0.75 h / 2068.6 - 2844.3 Torr

2: diethyl ether / 0.5 h / 0 °C

3: 35 percent / tetrahydrofuran; diethyl ether / 0 °C / pH > 9

4: 74 percent / LiAlH₄ / tetrahydrofuran / Heating

With lithium aluminium tetrahydride; hydrogen; palladium on activated charcoal; In tetrahydrofuran; diethyl ether; ethanol; acetic acid; ethyl acetate;
DOI:10.1002/jhet.5570200438

Reference yield:

: 267-48-1
5,6-methylenedioxyindole

: 6437-21-4
7-[2-(4-Benzyl-piperazin-1-yl)-ethyl]-5H-[1,3]dioxolo[4,5-f]indole

Guidance literature:: Multi-step reaction with 3 steps

1: diethyl ether / 0.5 h / 0 °C

2: 35 percent / tetrahydrofuran; diethyl ether / 0 °C / pH > 9

3: 74 percent / LiAlH₄ / tetrahydrofuran / Heating

With lithium aluminium tetrahydride; In tetrahydrofuran; diethyl ether;
DOI:10.1002/jhet.5570200438