Thiazol-5-ylmethanamine

Base Information

• Chemical Name: Thiazol-5-ylmethanamine
• CAS No.: 161805-76-1
• Molecular Formula: C4H6N2S
• Molecular Weight: 114.171
• Hs Code.: 2934100090
• European Community (EC) Number: 691-824-5
• DSSTox Substance ID: DTXSID50415448
• Wikidata: Q72508279
• Mol file: 161805-76-1.mol

Synonyms:161805-76-1;thiazol-5-ylmethanamine;Thiazol-5-yl-methylamine;1,3-thiazol-5-ylmethanamine;5-Thiazolemethanamine;C-Thiazol-5-yl-methylamine;(THIAZOL-5-YL)METHANAMINE;5-(Aminomethyl)-1,3-thiazole;[(1,3-Thiazol-5-yl)methyl]amine;[(Thiazol-5-yl)methyl]amine;1,3-thiazol-5-ylmethylamine;C-Thiazol-5-ylmethylamine;(thiazole-5-yl)methylamine;SCHEMBL231421;(1,3-thiazol-5-yl)methanamine;DTXSID50415448;XDNQVUAKCAPBIG-UHFFFAOYSA-N;1-(1,3-thiazol-5-yl)methanamine;MFCD02853613;STK500780;AKOS005171218;CS-W008986;AS-30589;AM20080445;BB 0250850;FT-0645877;EN300-77452;W-205883

Chemical Property of Thiazol-5-ylmethanamine

Chemical Property:

• Vapor Pressure: 0.112mmHg at 25°C
• Refractive Index: 1.592
• Boiling Point: 220.6 °C at 760 mmHg
• PKA: 8.24±0.29(Predicted)
• Flash Point: 87.2 °C
• PSA: 67.15000
• Density: 1.239 g/cm³
• LogP: 1.30210
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 114.02516937
• Heavy Atom Count: 7
• Complexity: 57.7

Purity/Quality:

97% ^*data from raw suppliers

1,3-Thiazol-5-ylmethylamineHydrobromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(SC=N1)CN

Technology Process of Thiazol-5-ylmethanamine

There total 2 articles about Thiazol-5-ylmethanamine 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%

5-(azidomethyl)thiazole → 5-(aminomethyl)thiazole (161805-76-1)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; for 20h;

DOI:10.1021/jm970777b

Reference yield:

→ 5-(aminomethyl)thiazole hydrochloride (131052-46-5,1215372-00-1) + 5-(aminomethyl)thiazole (161805-76-1)

Guidance literature:

Reference yield: 65.0%

5-(aminomethyl)thiazole (161805-76-1) + 2,5-di-O-benzyl-L-mannaro-1,4:3,6-di-γ-lactone (213895-58-0) → (2R,3R,4R,5R)-2,5-Bis-benzyloxy-3,4-dihydroxy-hexanedioic acid bis-[(thiazol-5-ylmethyl)-amide]

Guidance literature:

In acetonitrile; at 70 ℃; for 1h;

DOI:10.1021/jm970777b