2-Amino-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Base Information

• Chemical Name: 2-Amino-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
• CAS No.: 31737-02-7
• Molecular Formula: C₆H₆N₄OS
• Molecular Weight: 182.206
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID90351472
• Nikkaji Number: J702.741I
• Wikidata: Q82127913
• Mol file: 31737-02-7.mol

Synonyms:31737-02-7;2-Amino-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one;2-amino-7-methyl-5h-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one;Oprea1_330916;DTXSID90351472;HMS1684I12;2-amino-7-methyl-4-hydro-1,3,4-thiadiazolino[3,2-a]pyrimidin-5-one;MFCD00466623;STK761217;AKOS000670362;CS-0078642;EU-0052291;EN300-05641;D73949;4-Chloro-1-methyl-1H-pyrazole-3-carboxylic?acid;Z56921108;2-amino-7-methyl-5-oxo-5h-1,3,4-thiadiazolo[3,2-a]pyrimidine

Chemical Property of 2-Amino-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Chemical Property:

• Vapor Pressure: 0.000163mmHg at 25°C
• Boiling Point: 330.7°Cat760mmHg
• Flash Point: 153.8°C
• PSA: 102.25000
• Density: 1.82g/cm³
• LogP: -0.02830
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 182.02623200
• Heavy Atom Count: 12
• Complexity: 344

Purity/Quality:

97% ^*data from raw suppliers

2-Amino-7-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=O)N2C(=N1)SC(=N2)N

Technology Process of 2-Amino-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

There total 5 articles about 2-Amino-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-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%

2-bromo-7-methyl-5-oxo-5H-1,3,4-thiadiazolo<3,2-a>pyrimidine (139535-51-6) → 2-amino-7-methyl-5-oxo-5H-1,3,4-thiadiazolo<3,2-a>pyrimidine (31737-02-7)

Guidance literature:

With ammonium hydroxide; In 1,4-dioxane; water; for 2h; Heating;

DOI:10.1007/BF00703704

Reference yield:

5-amino-3-acetoacetyl-3H-[1,3,4]thiadiazol-2-ylideneamine (31737-01-6) → 2-amino-7-methyl-5-oxo-5H-1,3,4-thiadiazolo<3,2-a>pyrimidine (31737-02-7)

Guidance literature:

In water; Heating;

DOI:10.1007/BF00909352

Reference yield:

bromocyane (506-68-3) + 1-amino-4-methyl-6-oxo-2(3H)-pyrimidinethione (35523-72-9) → 2-amino-7-methyl-5-oxo-5H-1,3,4-thiadiazolo<3,2-a>pyrimidine (31737-02-7)

Guidance literature:

With sodium hydroxide;

DOI:10.1248/cpb.26.2765

upstream raw materials:

2,5-diamino-1,3,4-thiadiazole

ethyl acetoacetate

bromocyane

1-amino-4-methyl-6-oxo-2(3H)-pyrimidinethione