Methyl 2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carboxylate

Base Information

• Chemical Name: Methyl 2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carboxylate
• CAS No.: 127918-93-8
• Molecular Formula: C11H9FN2O2S
• Molecular Weight: 252.269
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID30382508
• Wikidata: Q82173865
• Mol file: 127918-93-8.mol

Synonyms:methyl 2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carboxylate;127918-93-8;MFCD06200922;Methyl 2-amino-5-(3-fluorophenyl)thiazole-4-carboxylate;SCHEMBL496405;DTXSID30382508;BBL030463;STL248499;AKOS005069557;CS-0214678;EN300-186604;11X-0938;2-amino-5-(3-fluoro-phenyl)-thiazole-4-carboxylic acid methyl ester

Chemical Property of Methyl 2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carboxylate

Chemical Property:

• Melting Point: 216
• PSA: 94.18000
• LogP: 2.24810
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 252.03687687
• Heavy Atom Count: 17
• Complexity: 293

Purity/Quality:

99% ^*data from raw suppliers

methyl2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carboxylate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(SC(=N1)N)C2=CC(=CC=C2)F

Technology Process of Methyl 2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carboxylate

There total 3 articles about Methyl 2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carboxylate 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:

3-chloro-3-(3-fluoro-phenyl)-2-oxo-propionic acid methyl ester (1007874-03-4) + thiourea (17356-08-0) → 2-amino-5-(3-fluoro-phenyl)-thiazole-4-carboxylic acid methyl ester (127918-93-8)

Guidance literature:

3-chloro-3-(3-fluoro-phenyl)-2-oxo-propionic acid methyl ester; thiourea; In acetone; at 57 ℃; Inert atmosphere;

With sodium hydrogencarbonate; In water; pH=7;

Reference yield:

3-Fluorobenzaldehyde (456-48-4) → 2-amino-5-(3-fluoro-phenyl)-thiazole-4-carboxylic acid methyl ester (127918-93-8)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium tert-butylate / tetrahydrofuran / -78 - 20 °C / Inert atmosphere

2: acetone / 57 °C / Inert atmosphere

With potassium tert-butylate; In tetrahydrofuran; acetone;

Reference yield:

→ 2-amino-5-(3-fluoro-phenyl)-thiazole-4-carboxylic acid methyl ester (127918-93-8)

Guidance literature:

upstream raw materials:

3-chloro-3-(3-fluoro-phenyl)-2-oxo-propionic acid methyl ester

thiourea

3-Fluorobenzaldehyde

Downstream raw materials:

5-(3-fluoro-phenyl)-thiazole-4-carboxylic acid methyl ester

2-bromo-5-(3-fluoro-phenyl)-thiazole-4-carboxylic acid methyl ester

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