2-Thiazolecarboximidamide

Base Information

• Chemical Name: 2-Thiazolecarboximidamide
• CAS No.: 212558-27-5
• Molecular Formula: C4H5N3S
• Molecular Weight: 127.16800
• DSSTox Substance ID: DTXSID00447097
• Nikkaji Number: J982.881H
• Wikidata: Q82265888
• Mol file: 212558-27-5.mol

Synonyms:2-THIAZOLECARBOXIMIDAMIDE;212558-27-5;Thiazole-2-carboximidamide;1,3-thiazole-2-carboximidamide;thiazole-2-carboxamidine;thiazolecarboxamidine;2-thiazolylformamidine;2-thiazolecarboxamidine;SCHEMBL1467511;DTXSID00447097;LKSRVNUPZNSFTE-UHFFFAOYSA-N;AKOS006339171;CS-0184296;FT-0732440;EN300-244517;A815224;J-510339

Chemical Property of 2-Thiazolecarboximidamide

Chemical Property:

• Boiling Point: 243.5±23.0 °C(Predicted)
• PKA: 10.48±0.50(Predicted)
• PSA: 91.00000
• Density: 1.57±0.1 g/cm3(Predicted)
• LogP: 1.22720
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 127.02041835
• Heavy Atom Count: 8
• Complexity: 104

Purity/Quality:

97% ^*data from raw suppliers

2-THIAZOLECARBOXIMIDAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CSC(=N1)C(=N)N

Technology Process of 2-Thiazolecarboximidamide

There total 2 articles about 2-Thiazolecarboximidamide 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: 74.0%

Thiazole-2-carbodithioic acid methyl ester → 1,3-thiazole-2-carboximidamide (212558-27-5)

Guidance literature:

With ammonia; sodium methylate; In methanol; at 80 ℃; for 24h; sealed tube;

DOI:10.1016/S0040-4039(98)01222-2

Reference yield:

thiazole-2-carbonitrile (1452-16-0) → 1,3-thiazole-2-carboximidamide (212558-27-5)

Guidance literature:

With trimethylaluminum; ammonium chloride; In toluene; at 0 - 80 ℃; for 16h;

Reference yield: 48.3%

(E)-2-acetyl-3-(4-fluoro-phenyl)-but-2-enoic acid methyl ester (1461666-03-4) + 1,3-thiazole-2-carboximidamide (212558-27-5) → 4-(4-fluoro-phenyl)-4,6-dimethyl-2-thiazol-2-yl-1,4-dihydro-pyrimidine-5-carboxylic acid methyl ester (1461666-04-5)

Guidance literature:

With sodium hydrogencarbonate; In 1-methyl-pyrrolidin-2-one; at 120 ℃; for 1.5h;

upstream raw materials:

thiazole-2-carbonitrile

Downstream raw materials:

methyl 4-(3,4-difluorophenyl)-4-methyl-6-oxo-2-(thiazol-2-yl)-1,4,5,6-tetrahydropyrimidine-5-carboxylate

4-(4-fluoro-phenyl)-4,6-dimethyl-2-thiazol-2-yl-1,4-dihydro-pyrimidine-5-carboxylic acid methyl ester