5,6-dimethyl-2-methylsulfanyl-3H-thieno[2,3-d]pyrimidin-4-one

Base Information

• Chemical Name: 5,6-dimethyl-2-methylsulfanyl-3H-thieno[2,3-d]pyrimidin-4-one
• CAS No.: 53074-16-1
• Molecular Formula: C₉H₁₀N₂OS₂
• Molecular Weight: 226.323
• DSSTox Substance ID: DTXSID50358503
• Nikkaji Number: J814.175D
• Wikidata: Q82139119
• Mol file: 53074-16-1.mol

Synonyms:5,6-dimethyl-2-methylsulfanyl-3H-thieno[2,3-d]pyrimidin-4-one;53074-16-1;5,6-dimethyl-2-(methylsulfanyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one;SBB042914;SCHEMBL1101927;DTXSID50358503;AKOS000269225;Z54068645;2-methylthio-5,6-dimethylthieno[2,3-d]pyrimidin-4-one

Chemical Property of 5,6-dimethyl-2-methylsulfanyl-3H-thieno[2,3-d]pyrimidin-4-one

Chemical Property:

• PSA: 99.55000
• LogP: 2.73560
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 226.02345529
• Heavy Atom Count: 14
• Complexity: 293

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(SC2=C1C(=O)NC(=N2)SC)C

Technology Process of 5,6-dimethyl-2-methylsulfanyl-3H-thieno[2,3-d]pyrimidin-4-one

There total 3 articles about 5,6-dimethyl-2-methylsulfanyl-3H-thieno[2,3-d]pyrimidin-4-one 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: 87.0%

methyl iodide (74-88-4) + 5,6-Dimethylthieno<2,3-d>pyrimidin-4(3H)-on-2(1H)-thion (38201-64-8) → 5,6-dimethyl-2-methylthio-3,4-dihydrothieno[2,3-d]pyrimidin-4-one (53074-16-1)

Guidance literature:

5,6-Dimethylthieno<2,3-d>pyrimidin-4(3H)-on-2(1H)-thion; With potassium hydroxide; for 0.5h; Heating;

methyl iodide; In ethanol; for 5h; Heating;

DOI:10.1080/10426509808033738

Reference yield:

dimethyl sulfate (77-78-1) + 5,6-Dimethylthieno<2,3-d>pyrimidin-4(3H)-on-2(1H)-thion (38201-64-8) → 5,6-dimethyl-2-methylthio-3,4-dihydrothieno[2,3-d]pyrimidin-4-one (53074-16-1)

Guidance literature:

With sodium hydroxide; In water;

DOI:10.3184/030823408X327875

Reference yield:

2-amino-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester (4815-24-1) → 5,6-dimethyl-2-methylthio-3,4-dihydrothieno[2,3-d]pyrimidin-4-one (53074-16-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 120 - 130 °C

DOI:10.1023/A:1015064920578

upstream raw materials:

methyl iodide

5,6-Dimethylthieno<2,3-d>pyrimidin-4(3H)-on-2(1H)-thion

2-amino-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester

dimethyl sulfate

Downstream raw materials:

2-<4-chlorophenyl>amino-5,6-dimethylthieno<2,3-d>pyrimidin-4(3H)-one

4-amino-2-<4-chlorophenyl>amino-5,6-dimethylthieno<2,3-d>pyrimidine

4-chloro-2-(4-chlorophenyl)amino-5,6-dimethylthieno<2,3-d>pyrimidine

2-amino-4-<4-chlorophenyl>amino-5,6-dimethylthieno<2,3-d>pyrimidine

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