Thiazol-4-ylmethanamine

Base Information

• Chemical Name: Thiazol-4-ylmethanamine
• CAS No.: 16188-30-0
• Molecular Formula: C4H6N2S
• Molecular Weight: 114.171
• Hs Code.: 2934100090
• European Community (EC) Number: 827-339-4
• DSSTox Substance ID: DTXSID20567726
• Wikidata: Q82453725
• Mol file: 16188-30-0.mol

Synonyms:16188-30-0;Thiazol-4-ylmethanamine;1,3-thiazol-4-ylmethanamine;4-THIAZOLEMETHANAMINE;C-THIAZOL-4-YL-METHYLAMINE;1,3-thiazol-4-ylmethylamine;4-aminomethylthiazole;(1,3-thiazol-4-yl)methanamine;1-(1,3-thiazol-4-yl)methanamine;MFCD06797207;4-(AMINOMETHYL)THIAZOLE;(Thiazol-4-yl)methanamine;SCHEMBL1190495;(1,3-thiazol-4-ylmethyl)amine;DTXSID20567726;YFEQTUUFQKDATK-UHFFFAOYSA-N;AKOS005171217;PB21996;BS-12735;SY021530;CS-0054611;EN300-60647;J-009870;F2173-0021

Chemical Property of Thiazol-4-ylmethanamine

Chemical Property:

• Vapor Pressure: 0.112mmHg at 25°C
• Melting Point: 241.5-242.5 °C(Solv: ethanol (64-17-5))
• Refractive Index: 1.592
• Boiling Point: 220.6 °C at 760 mmHg
• PKA: 7.62±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:

98% ^*data from raw suppliers

1,3-THIAZOL-4-YLMETHANAMINE 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(N=CS1)CN
• Uses: (1,3-Thiazol-4-ylmethyl)amine is used as a reactant in the preparation of quinazoline antifolate thymidylate synthase inhibitors via replacement of glutamic acid.

Technology Process of Thiazol-4-ylmethanamine

There total 2 articles about Thiazol-4-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:

C4H4N4S (1251034-67-9) → 1-(1,3-thiazol-4-yl)methanamine (16188-30-0)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In methanol; for 12h; under 760.051 Torr;

Reference yield:

N-thiazol-4-ylmethyl-phthalimide (103859-71-8) → 1-(1,3-thiazol-4-yl)methanamine (16188-30-0)

Guidance literature:

With ethanol; hydrazine hydrate; anschliessend Behandeln mit wss. HCl;

DOI:10.1021/ja01166a052

Reference yield: 66.0%

6-{4-[(3-fluorobenzyl)oxy]phenoxy}nicotinic acid (639091-33-1) + 1-(1,3-thiazol-4-yl)methanamine (16188-30-0) → 6-{4-[(3-fluorobenzyl)oxy]phenoxy}-N-(1,3-thiazol-4-ylmethyl)nicotinamide hydrochloride

Guidance literature:

With water-soluble carbodiimide *HCl; benzotriazol-1-ol; In tetrahydrofuran; at 20 ℃;

DOI:10.1016/j.bmc.2004.10.048

upstream raw materials:

N-thiazol-4-ylmethyl-phthalimide

C₄H₄N₄S

Downstream raw materials:

C₁₂H₁₃N₅O₂S

1-(4-nitrophenyl)-3-methyl-5-(thiazol-4-yl)-1,2,4-triazole

1,3-diphenyl-5-(thiazol-4-yl)-1,2,4-triazole

C₁₇H₁₆N₄S

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