Ethyl 5-amino-4-(3-methoxyphenyl)-2-(methylthio)thieno[2,3-d]pyrimidine-6-carboxylate

Base Information

Chemical Name:Ethyl 5-amino-4-(3-methoxyphenyl)-2-(methylthio)thieno[2,3-d]pyrimidine-6-carboxylate
CAS No.:301846-06-0
Molecular Formula:C17H17N3O3S2
Molecular Weight:375.472
Hs Code.:
ChEMBL ID:CHEMBL213681
DSSTox Substance ID:DTXSID601127752
Mol file:301846-06-0.mol

Synonyms:ethyl 5-amino-4-(3-methoxyphenyl)-2-(methylthio)thieno[2,3-d]pyrimidine-6-carboxylate;301846-06-0;CHEMBL213681;SCHEMBL4327613;DTXSID601127752;AS-84078;CS-0179800;E82208;ethyl 5-amino-4-(3-methoxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate;THIENO[2,3-D]PYRIMIDINE-6-CARBOXYLIC ACID,5-AMINO-4-(3-METHOXYPHENYL)-2-(METHYLTHIO)-,ETHYL ESTER(WXG01919)

Suppliers and Price of Ethyl 5-amino-4-(3-methoxyphenyl)-2-(methylthio)thieno[2,3-d]pyrimidine-6-carboxylate

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 1 raw suppliers

Chemical Property of Ethyl 5-amino-4-(3-methoxyphenyl)-2-(methylthio)thieno[2,3-d]pyrimidine-6-carboxylate

Chemical Property:

PSA：140.87000
LogP:4.42890
XLogP3:4.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:375.07113376
Heavy Atom Count:25
Complexity:470

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1=C(C2=C(N=C(N=C2S1)SC)C3=CC(=CC=C3)OC)N

Technology Process of Ethyl 5-amino-4-(3-methoxyphenyl)-2-(methylthio)thieno[2,3-d]pyrimidine-6-carboxylate

There total 3 articles about Ethyl 5-amino-4-(3-methoxyphenyl)-2-(methylthio)thieno[2,3-d]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: 70.0%

: 128666-82-0
5-carbonitrile-4-chloro-6-(3-methoxyphenyl)-2-(methylthio)pyrimidine

: 623-51-8
ethyl 2-sulfanylacetate

: 301846-06-0
ethyl-5-amino-4-(3-methoxyphenyl)-2-(methylthio)thieno[2,3-d]pyrimidine-6-carboxylate

Guidance literature:: With ethanol; sodium; at 50 ℃; for 3h;

Reference yield:

: 591-31-1
3-methoxy-benzaldehyde

: 301846-06-0
ethyl-5-amino-4-(3-methoxyphenyl)-2-(methylthio)thieno[2,3-d]pyrimidine-6-carboxylate

Guidance literature:: Multi-step reaction with 3 steps

1: K₂CO₃ / ethanol / 5 h / 60 °C

2: POCl₃ / dioxane / 3 h / Heating

3: NaOEt / ethanol / 3 h / 50 °C

With sodium ethanolate; potassium carbonate; trichlorophosphate; In 1,4-dioxane; ethanol; 1: Biginelli condensation;
DOI:10.1021/jm060247s

Reference yield:

: 128640-73-3
5-carbonitrile-1,6-dihydro-4-(3-methoxyphenyl)-2-(methylthio)-6-oxopyrimidine

: 301846-06-0
ethyl-5-amino-4-(3-methoxyphenyl)-2-(methylthio)thieno[2,3-d]pyrimidine-6-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: POCl₃ / dioxane / 3 h / Heating

2: NaOEt / ethanol / 3 h / 50 °C

With sodium ethanolate; trichlorophosphate; In 1,4-dioxane; ethanol;
DOI:10.1021/jm060247s