(5Z)-1-(3-chlorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione

Base Information

Chemical Name:(5Z)-1-(3-chlorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione
CAS No.:5810-63-9
Molecular Formula:C16H12ClN3O2S
Molecular Weight:276.722
Hs Code.:
DSSTox Substance ID:DTXSID00350491
Wikidata:Q82126465

Synonyms:STK846627;5810-63-9;DTXSID00350491;AKOS005627426;AKOS030509202;CCG-289501;BIM-0034793.P001;(5Z)-1-(3-chlorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione;(Z)-1-(3-chlorophenyl)-5-((1-methyl-1H-pyrrol-2-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Suppliers and Price of (5Z)-1-(3-chlorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione

Supply Marketing:

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

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Chemical Property of (5Z)-1-(3-chlorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
Density:1.42g/cm³
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:345.0338755
Heavy Atom Count:23
Complexity:566

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C=CC=C1C=C2C(=O)NC(=S)N(C2=O)C3=CC(=CC=C3)Cl
Isomeric SMILES:CN1C=CC=C1/C=C\2/C(=O)NC(=S)N(C2=O)C3=CC(=CC=C3)Cl

Technology Process of (5Z)-1-(3-chlorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione

There total 4 articles about (5Z)-1-(3-chlorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylpyrimidine-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: 83.0%

: 5810-64-0
ethyl 2-(4-hydroxy-2-phenylpyrimidin-5-yl)acetate

: 5810-63-9
ethyl 2-(4-chloro-2-phenylpyrimidin-5-yl)acetate

Guidance literature:: With trichlorophosphate; for 2h; Reflux;
DOI:10.1007/s00706-015-1634-1

Reference yield:

: 5472-38-8
diethyl 2-formylbutanedioate

: 5810-63-9
ethyl 2-(4-chloro-2-phenylpyrimidin-5-yl)acetate

Guidance literature:: Multi-step reaction with 2 steps

1.1: sodium ethanolate / ethanol / 0.08 h / 0 °C / Inert atmosphere

1.2: 48 h / 0 - 20 °C / Inert atmosphere

1.3: 0.5 h / 20 °C / Inert atmosphere

2.1: trichlorophosphate / 2 h / Reflux

With sodium ethanolate; trichlorophosphate; In ethanol;
DOI:10.1007/s00706-015-1634-1

Reference yield:

: 618-39-3
benzamidin

: 5810-63-9
ethyl 2-(4-chloro-2-phenylpyrimidin-5-yl)acetate

Guidance literature:: Multi-step reaction with 2 steps

1.1: sodium ethanolate / ethanol / 0.08 h / 0 °C / Inert atmosphere

1.2: 48 h / 0 - 20 °C / Inert atmosphere

1.3: 0.5 h / 20 °C / Inert atmosphere

2.1: trichlorophosphate / 2 h / Reflux

With sodium ethanolate; trichlorophosphate; In ethanol;
DOI:10.1007/s00706-015-1634-1