methyl 2-(2,5-dioxo-2H-pyrrol-1(5H)-ylthio)benzoate

Base Information

Chemical Name:methyl 2-(2,5-dioxo-2H-pyrrol-1(5H)-ylthio)benzoate
CAS No.:79498-82-1
Molecular Formula:C12H11NO4S
Molecular Weight:265.29
Hs Code.:
DSSTox Substance ID:DTXSID30607288
Wikidata:Q82506271
Mol file:79498-82-1.mol

Synonyms:methyl 2-(2,5-dioxo-2H-pyrrol-1(5H)-ylthio)benzoate;79498-82-1;methyl 2-(2,5-dioxopyrrol-1-yl)sulfanylbenzoate;SCHEMBL11087062;DTXSID30607288;AKOS015855315;Methyl 2-[(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)sulfanyl]benzoate

Suppliers and Price of methyl 2-(2,5-dioxo-2H-pyrrol-1(5H)-ylthio)benzoate

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 6 raw suppliers

Chemical Property of methyl 2-(2,5-dioxo-2H-pyrrol-1(5H)-ylthio)benzoate

Chemical Property:

Boiling Point:411.7±47.0 °C(Predicted)
PKA:-2.33±0.20(Predicted)
PSA：88.98000
Density:1.41±0.1 g/cm3(Predicted)
LogP:1.34320
XLogP3:1.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:263.02522894
Heavy Atom Count:18
Complexity:389

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=CC=CC=C1SN2C(=O)C=CC2=O

Technology Process of methyl 2-(2,5-dioxo-2H-pyrrol-1(5H)-ylthio)benzoate

There total 2 articles about methyl 2-(2,5-dioxo-2H-pyrrol-1(5H)-ylthio)benzoate 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:

: 3704-28-7
methyl 2-(methylthio)benzoate

: 79498-82-1
2-succinimidosulfanyl-benzoic acid methyl ester

Guidance literature:: With tetrachloromethane; N-Bromosuccinimide;

Reference yield:

: 79498-82-1
2-succinimidosulfanyl-benzoic acid methyl ester

Guidance literature:: Bis-(2-methoxycarbonylphenyl)-disulfid, N-Brom-succinimid, Benzoylperoxid, neben (2-Methoxy-carbonyl-phenyl)-sulfenylbromid;

Reference yield: 62.0%

: 79498-82-1
2-succinimidosulfanyl-benzoic acid methyl ester

: 116359-75-2
3-methyl-1-(pyridine-2-yl)-1H-indole

: methyl 2-((3-methyl-1-(pyridin-2-yl)-1H-indol-2-yl)thio)benzoate

Guidance literature:: With potassium acetate; C₁₁H₁₄CoN₃⁽¹⁺⁾*F₆Sb^(1-); In 1,2-dichloro-ethane; at 120 ℃; for 36h; Sealed tube; Inert atmosphere;
DOI:10.1039/d1cc03760a