5,6-Dihydro-5-imino-2-methyl-7H-1,3,4-thiadiazolo(3,2-a)pyrimidin-7-one

Base Information

• Chemical Name: 5,6-Dihydro-5-imino-2-methyl-7H-1,3,4-thiadiazolo(3,2-a)pyrimidin-7-one
• CAS No.: 116776-43-3
• Molecular Formula: C6H6 N4 O S
• Molecular Weight: 182.206
• DSSTox Substance ID: DTXSID60922153
• Nikkaji Number: J394.665G
• Wikidata: Q82895489

Synonyms:BRN 4313368;5,6-Dihydro-5-imino-2-methyl-7H-1,3,4-thiadiazolo(3,2-a)pyrimidin-7-one;116776-43-3;7H-1,3,4-Thiadiazolo(3,2-a)pyrimidin-7-one, 5,6-dihydro-5-imino-2-methyl-;5-imino-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one;Cambridge id 5202597;DTXSID60922153;SDCCGMLS-0064582.P001;5-Imino-2-methyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Chemical Property of 5,6-Dihydro-5-imino-2-methyl-7H-1,3,4-thiadiazolo(3,2-a)pyrimidin-7-one

Chemical Property:

• Vapor Pressure: 0.00923mmHg at 25°C
• Boiling Point: 265.3°Cat760mmHg
• Flash Point: 114.2°C
• Density: 1.82g/cm³
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 182.02623200
• Heavy Atom Count: 12
• Complexity: 332

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN2C(=N)CC(=O)N=C2S1

Technology Process of 5,6-Dihydro-5-imino-2-methyl-7H-1,3,4-thiadiazolo(3,2-a)pyrimidin-7-one

There total 1 articles about 5,6-Dihydro-5-imino-2-methyl-7H-1,3,4-thiadiazolo(3,2-a)pyrimidin-7-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: 80.0%

5-methyl-1,3,4-thiadiazol-2-amine (108-33-8) + ethyl 2-cyanoacetate (105-56-6) → 5-Imino-2-methyl-5,6-dihydro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (116776-43-3)

Guidance literature:

With sodium; acetic acid; In methanol; for 5h; Heating;

Reference yield: 87.0%

4-fluorobenzaldehyde (459-57-4) + 5-Imino-2-methyl-5,6-dihydro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (116776-43-3) → 6-(4-fluorobenzylidene)-5-imino-2-methyl-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one

Guidance literature:

With triethylamine; In ethanol; N,N-dimethyl-formamide; at 50 - 60 ℃; for 2.5h;

DOI:10.1007/BF02494566

Reference yield: 84.6%

carbon disulfide (75-15-0,12122-00-8) + 4-fluorobenzaldehyde (459-57-4) + 5-Imino-2-methyl-5,6-dihydro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (116776-43-3) + methyl iodide (74-88-4) → 6-(4-fluorophenyl)-2-methyl-8-methylthio-1,3,4-thiadiazolo[3',2':1,2]pyrimidino[5,6-d]1,3-thiazin-5-one

Guidance literature:

With triethylamine; In ethanol; N,N-dimethyl-formamide; at 50 - 60 ℃; for 2.5h;

DOI:10.1007/BF02494566

upstream raw materials:

5-methyl-1,3,4-thiadiazol-2-amine

ethyl 2-cyanoacetate

Downstream raw materials:

5-methyl-1,3,4-thiadiazol-2-amine

6-benzylidene-5-imino-2-methyl-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one

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