2-[(4-methoxyphenyl)amino]-1,3-thiazole-4-carboxylic Acid

Base Information

• Chemical Name: 2-[(4-methoxyphenyl)amino]-1,3-thiazole-4-carboxylic Acid
• CAS No.: 165682-75-7
• Molecular Formula: C₁₁H₁₀N₂O₃S
• Molecular Weight: 250.278
• DSSTox Substance ID: DTXSID701220658
• Mol file: 165682-75-7.mol

Synonyms:165682-75-7;2-[(4-methoxyphenyl)amino]-1,3-thiazole-4-carboxylic Acid;2-((4-Methoxyphenyl)amino)thiazole-4-carboxylic acid;2-(4-Methoxy-phenylamino)-thiazole-4-carboxylic acid;2-(4-methoxyanilino)-1,3-thiazole-4-carboxylic acid;SCHEMBL525597;2-[(4-methoxyphenyl)amino]-4-Thiazolecarboxylic acid;FRHNAQQUMBLASW-UHFFFAOYSA-N;DTXSID701220658;MFCD04117341;STK112379;AKOS015937266;MS-9624;CS-0262434;EN300-82573;2-((4-Methoxyphenyl)amino)thiazole-4-carboxylicacid;2-(4-methoxyphenylamino)-thiazole-4-carboxylic acid;2-(4-methoxyphenylamino)thiazole-4-carboxylic acid;Z1238539931

Chemical Property of 2-[(4-methoxyphenyl)amino]-1,3-thiazole-4-carboxylic Acid

Chemical Property:

• Boiling Point: 466.7±51.0 °C(Predicted)
• PKA: 1.15±0.10(Predicted)
• Density: 1.432±0.06 g/cm3(Predicted)
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 250.04121336
• Heavy Atom Count: 17
• Complexity: 269

Purity/Quality:

99% ^*data from raw suppliers

2-(4-Methoxy-phenylamino)-thiazole-4-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)NC2=NC(=CS2)C(=O)O

Technology Process of 2-[(4-methoxyphenyl)amino]-1,3-thiazole-4-carboxylic Acid

There total 4 articles about 2-[(4-methoxyphenyl)amino]-1,3-thiazole-4-carboxylic Acid 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:

ethyl 2-((4-methoxyphenyl)amino)thiazole-4-carboxylate → 2-{[4-(methyloxy)phenyl]amino}-1,3-thiazole-4-carboxylic acid (165682-75-7)

Guidance literature:

With methanol; lithium hydroxide; In tetrahydrofuran; at 23 ℃; for 18h;

DOI:10.1016/j.bmcl.2013.06.047

Reference yield:

4-methoxy-aniline (104-94-9) → 2-{[4-(methyloxy)phenyl]amino}-1,3-thiazole-4-carboxylic acid (165682-75-7)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol / 4 h / 150 °C / Microwave irradiation

2: methanol; lithium hydroxide / tetrahydrofuran / 18 h / 23 °C

With methanol; ethanol; lithium hydroxide; In tetrahydrofuran;

DOI:10.1016/j.bmcl.2013.06.047

Reference yield:

1-(4-methoxyphenyl)thiourea (2293-07-4) → 2-{[4-(methyloxy)phenyl]amino}-1,3-thiazole-4-carboxylic acid (165682-75-7)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol / neat (no solvent) / 65 °C

2: methanol; lithium hydroxide / tetrahydrofuran / 18 h / 23 °C

With methanol; ethanol; lithium hydroxide; In tetrahydrofuran;

DOI:10.1016/j.bmcl.2013.06.047

upstream raw materials:

4-methoxy-aniline

1-(4-methoxyphenyl)thiourea

Downstream raw materials:

N-(4-methoxyphenyl)-4-[(4-methyl-1-piperidinyl)carbonyl]-1,3-thiazol-2-amine

4-(3,4-dihydro-2(1H)-isoquinolinylcarbonyl)-N-[4-(methyloxy)phenyl]-1,3-thiazol-2-amine

N-(4-methoxyphenyl)-4-[(4-phenyl-1-piperidinyl)carbonyl]-1,3-thiazol-2-amine

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