Thieno(2,3-d)pyrimidine-6-acetic acid, 1,2,3,4-tetrahydro-5-methyl-4-oxo-3-phenyl-2-thioxo-, ethyl ester

Base Information

Chemical Name:Thieno(2,3-d)pyrimidine-6-acetic acid, 1,2,3,4-tetrahydro-5-methyl-4-oxo-3-phenyl-2-thioxo-, ethyl ester
CAS No.:105523-02-2
Molecular Formula:C₁₇H₁₆N₂O₃S₂
Molecular Weight:360.458
Hs Code.:
DSSTox Substance ID:DTXSID20147188
Wikidata:Q83012412
Mol file:105523-02-2.mol

Synonyms:BRN 5618087;Thieno(2,3-d)pyrimidine-6-acetic acid, 1,2,3,4-tetrahydro-5-methyl-4-oxo-3-phenyl-2-thioxo-, ethyl ester;2-Thio-3-phenyl-4-oxo-5-methylthieno(2,3-d)pyrimidine-6-acetic acid ethyl ester;105523-02-2;DTXSID20147188;C17H16N2O3S2;C17-H16-N2-O3-S2;LS-152496

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

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Chemical Property of Thieno(2,3-d)pyrimidine-6-acetic acid, 1,2,3,4-tetrahydro-5-methyl-4-oxo-3-phenyl-2-thioxo-, ethyl ester

Chemical Property:

Vapor Pressure:3.15E-11mmHg at 25°C
Boiling Point:527.8°C at 760 mmHg
Flash Point:273°C
Density:1.41g/cm³
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:360.06023472
Heavy Atom Count:24
Complexity:522

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)CC1=C(C2=C(S1)NC(=S)N(C2=O)C3=CC=CC=C3)C

Technology Process of Thieno(2,3-d)pyrimidine-6-acetic acid, 1,2,3,4-tetrahydro-5-methyl-4-oxo-3-phenyl-2-thioxo-, ethyl ester

There total 2 articles about Thieno(2,3-d)pyrimidine-6-acetic acid, 1,2,3,4-tetrahydro-5-methyl-4-oxo-3-phenyl-2-thioxo-, ethyl ester 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: 16.0%

: 103-72-0
phenyl isothiocyanate

: Ethyl 2-amino-3-ethoxycarbonyl-4-methyl-5-thiopheneacetate

: 105523-02-2
Ethyl 2-thio-3-phenyl-4-oxo-5-methylthieno<2,3-d>pyrimidine-6-acetate

Guidance literature:: at 130 ℃; for 13h;
DOI:10.1007/BF00766872

Reference yield:

: 52567-30-3
Ethyl 2-cyano-3-methyl-2-hexene-1,6-dicarboxylate

: 105523-02-2
Ethyl 2-thio-3-phenyl-4-oxo-5-methylthieno<2,3-d>pyrimidine-6-acetate

Guidance literature:: Multi-step reaction with 2 steps

1: 75.3 percent / sulfur, piperidine / ethanol / Heating

2: 16 percent / 13 h / 130 °C

With piperidine; sulfur; In ethanol;
DOI:10.1007/BF00766872