4-Methyl-2-(pyridin-3-yl)thiazole-5-carboxylic acid

Base Information

• Chemical Name: 4-Methyl-2-(pyridin-3-yl)thiazole-5-carboxylic acid
• CAS No.: 39091-01-5
• Molecular Formula: C10H8N2O2S
• Molecular Weight: 220.252
• Hs Code.: 2934100090
• European Community (EC) Number: 624-439-8
• DSSTox Substance ID: DTXSID50376984
• Nikkaji Number: J2.418.772A
• Wikidata: Q72496901
• Mol file: 39091-01-5.mol

Synonyms:39091-01-5;4-methyl-2-(pyridin-3-yl)thiazole-5-carboxylic acid;4-Methyl-2-pyridin-3-yl-thiazole-5-carboxylic acid;4-Methyl-2-(3-Pyridinyl)-1,3-Thiazole-5-Carboxylic Acid;2-(3-Pyridyl)-4-methylthiazole-5-carboxylic acid;4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid;4-methyl-2-(pyridin-3-yl)-1,3-thiazole-5-carboxylic acid;MFCD00171753;4-Methyl-2-(3-pyridyl)thiazole-5-carboxylic acid;2-(3-Pyridyl)-4-methyl-thiazole-5-Carboxylic Acid;4-Methyl-2-(3-pyridinyl)-5-thiazolecarboxylic acid;4-Methyl-2-pyridin-3-yl-thiazole-5-carboxylicacid;SCHEMBL595294;DTXSID50376984;BCP27280;BBL012011;STK397557;AKOS000111450;1G-380S;CS-W013144;PD021266;SY204633;A6559;AM20051137;BB 0238578;FT-0630050;VU0609741-1;EN300-230644;2-(3-Pyridinyl)-4-methylthiazole-5-carboxylic acid;4-Methyl-2-(3-Pyridyl)-5-Thiazolecarboxylic Acid;4-methyl-2-(pyrid-3-yl)thiazole-5-carboxylic acid;4-methyl-2-(pyridin-3-yl)thiazole-5-carboxylicacid;Q-102477;4-Methyl-2-pyridin-3-yl-thiazole-5-carboxylic acid;2-(3-Pyridyl)-4-methylthiazole-5-carboxylic acid, 97%;F3308-4057;Z274740234;4-METHYL-2-(3-PYRIDINYL)-1,3-THIAZOLE-5-CARBOXYLICACID

Chemical Property of 4-Methyl-2-(pyridin-3-yl)thiazole-5-carboxylic acid

Chemical Property:

• Appearance/Colour: WHITE TO TAN POWDER, CRYSTALS, CRYSTALLINE POWDER AND/OR CHUNKS
• Vapor Pressure: 3.22E-09mmHg at 25°C
• Melting Point: 244-248 °C (dec.)(lit.)
• Boiling Point: 459 °C at 760 mmHg
• PKA: 1.71±0.37(Predicted)
• Flash Point: 231.4 °C
• PSA: 91.32000
• Density: 1.381 g/cm³
• LogP: 2.21170
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 220.03064868
• Heavy Atom Count: 15
• Complexity: 250

Purity/Quality:

99%, ^*data from raw suppliers

4-Methyl-2-(3-pyridinyl)-1,3-thiazole-5-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(SC(=N1)C2=CN=CC=C2)C(=O)O
• Description: 2-(3-pyridyl)-4-methyl-Thiazole-5-carboxylic acid is a synthetic intermediate useful for pharmaceutical synthesis.

Technology Process of 4-Methyl-2-(pyridin-3-yl)thiazole-5-carboxylic acid

There total 4 articles about 4-Methyl-2-(pyridin-3-yl)thiazole-5-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: 96.0%

ethyl 4-methyl-2-(pyridin-3-yl)-1,3-thiazole-5-carboxylate (39091-00-4) → 4-methyl-2-(pyridin-3-yl)-5-thiazolecarboxylic acid (39091-01-5)

Guidance literature:

With sodium hydroxide; In ethanol; water;

Reference yield:

thionicotinamide (4621-66-3) → 4-methyl-2-(pyridin-3-yl)-5-thiazolecarboxylic acid (39091-01-5)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol / Reflux

2: water; sodium hydroxide / methanol / 1 h / 20 °C / Cooling

With water; sodium hydroxide; In methanol; ethanol;

Reference yield:

nicotinamide (98-92-0,1255150-40-3) → 4-methyl-2-(pyridin-3-yl)-5-thiazolecarboxylic acid (39091-01-5)

Guidance literature:

Multi-step reaction with 3 steps

1.1: diphosphorus pentasulfide / tetrahydrofuran / 5 h / 70 - 75 °C / Large scale

2.1: 3.5 h / 72 °C / Large scale

3.1: sodium hydroxide / 7 h / 90 °C

3.2: pH 3.2

With diphosphorus pentasulfide; sodium hydroxide; In tetrahydrofuran;

upstream raw materials:

ethyl 4-methyl-2-(pyridin-3-yl)-1,3-thiazole-5-carboxylate

thionicotinamide

nicotinamide

Downstream raw materials:

SRT₂₁₀₄

C₂₇H₂₅N₃O₃S₂

N-{[1-(4-chlorophenyl)cyclohexyl]methyl}-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide

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