ethyl (2Z)-2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Base Information

Chemical Name:ethyl (2Z)-2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CAS No.:5824-50-0
Molecular Formula:C5H10 O S2
Molecular Weight:590.4661
Hs Code.:
DSSTox Substance ID:DTXSID60417155

ethyl (2Z)-2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Synonyms:5824-50-0;ethyl (2Z)-2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate;AC1NT30D;DTXSID60417155

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Chemical Property of ethyl (2Z)-2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Chemical Property:

Vapor Pressure:6.05E-19mmHg at 25°C
Boiling Point:676.9°Cat760mmHg
Flash Point:363.2°C
Density:1.62g/cm³
XLogP3:5.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:588.99769
Heavy Atom Count:36
Complexity:1000

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)SC)C(=O)C(=CC4=C(C(=CC(=C4)Br)[N+](=O)[O-])O)S2)C
Isomeric SMILES:CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)SC)C(=O)/C(=C/C4=C(C(=CC(=C4)Br)[N+](=O)[O-])O)/S2)C

Technology Process of ethyl (2Z)-2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

There total 2 articles about ethyl (2Z)-2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-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:

: 90494-81-8
4-Methylbenzolthiosulfonsaeure-S-propylester

: 10387-40-3
potassium thioacetate

: 5824-50-0
Acetyl-aethyldisulfid

Guidance literature:: In dichloromethane; at 20 ℃; Inert atmosphere;
DOI:10.1021/acs.joc.8b03262

Reference yield:

: 19760-03-3
n-propylsulphenyl chloride

: 507-09-5
tiolacetic acid

: 5824-50-0
Acetyl-aethyldisulfid

Guidance literature:: Multistep reaction; (i) Cl₂, CH₂Cl₂, (ii) /BRN= 773684/;
DOI:10.1021/jo00818a002

Reference yield: 95.0%

: 5824-50-0
Acetyl-aethyldisulfid

: 52713-51-6
toluene-4-thiosulfonic acid S-2-propen-1-yl ester

: 33922-73-5
1-allyl-3-propyltrisulfane

Guidance literature:: Acetyl-aethyldisulfid; toluene-4-thiosulfonic acid S-2-propen-1-yl ester; In tetrahydrofuran; at -78 ℃; for 0.166667h; Inert atmosphere;

With sodium methylate; In tetrahydrofuran; methanol; for 0.00833333h; Inert atmosphere;
DOI:10.1021/acs.joc.8b03262