5H-(1)Benzothieno(2,3-d)thiazolo(3,2-a)pyrimidine-2-carboxylic acid, 6,7,8,9-tetrahydro-3-methyl-5-oxo-, ethyl ester

Base Information

• Chemical Name: 5H-(1)Benzothieno(2,3-d)thiazolo(3,2-a)pyrimidine-2-carboxylic acid, 6,7,8,9-tetrahydro-3-methyl-5-oxo-, ethyl ester
• CAS No.: 122945-80-6
• Molecular Formula: C₁₆H₁₆N₂O₃S₂
• Molecular Weight: 348.447
• DSSTox Substance ID: DTXSID50153797
• Wikidata: Q83020817
• Mol file: 122945-80-6.mol

Synonyms:BRN 5997640;5H-(1)Benzothieno(2,3-d)thiazolo(3,2-a)pyrimidine-2-carboxylic acid, 6,7,8,9-tetrahydro-3-methyl-5-oxo-, ethyl ester;122945-80-6;DTXSID50153797;C16H16N2O3S2;LS-41075

Chemical Property of 5H-(1)Benzothieno(2,3-d)thiazolo(3,2-a)pyrimidine-2-carboxylic acid, 6,7,8,9-tetrahydro-3-methyl-5-oxo-, ethyl ester

Chemical Property:

• Vapor Pressure: 2E-12mmHg at 25°C
• Boiling Point: 556.6°Cat760mmHg
• Flash Point: 290.4°C
• Density: 1.58g/cm³
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 348.06023472
• Heavy Atom Count: 23
• Complexity: 631

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(N2C(=O)C3=C(N=C2S1)SC4=C3CCCC4)C

Technology Process of 5H-(1)Benzothieno(2,3-d)thiazolo(3,2-a)pyrimidine-2-carboxylic acid, 6,7,8,9-tetrahydro-3-methyl-5-oxo-, ethyl ester

There total 1 articles about 5H-(1)Benzothieno(2,3-d)thiazolo(3,2-a)pyrimidine-2-carboxylic acid, 6,7,8,9-tetrahydro-3-methyl-5-oxo-, 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: 65.0%

ethyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (4506-71-2) + ethyl 2-chloro-4-methylthiazole-5-carboxylate (7238-62-2) → 3-Methyl-4-oxo-5,6,7,8-tetrahydro-4H-1,9-dithia-3a,10-diaza-cyclopenta[b]fluorene-2-carboxylic acid ethyl ester (122945-80-6)

Guidance literature:

at 160 ℃;

DOI:10.1016/0223-5234(89)90170-0

upstream raw materials:

ethyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate

ethyl 2-chloro-4-methylthiazole-5-carboxylate

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