4-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde

Base Information

• Chemical Name: 4-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde
• CAS No.: 438577-61-8
• Molecular Formula: C12H8 F3 N O S
• Molecular Weight: 271.263
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID50382343
• Nikkaji Number: J2.663.037A
• Wikidata: Q72486429
• Mol file: 438577-61-8.mol

Synonyms:438577-61-8;4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde;4-methyl-2-(4-(trifluoromethyl)phenyl)thiazole-5-carbaldehyde;4-methyl-2-[4-(trifluoromethyl)phenyl]thiazole-5-carbaldehyde;SCHEMBL3371805;DTXSID50382343;5-Thiazolecarboxaldehyde, 4-methyl-2-[4-(trifluoromethyl)phenyl]-;MFCD04115404;AKOS005072238;DB-0719;A7012;FT-0680921;J-515699;4-Methyl-2-(4-trifluoromethyl-phenyl)-thiazole-5-carbaldehyde;4-methyl-2-(4-trifluoromethylphenyl)-1,3-thiazole-5-carbaldehyde;5-Thiazolecarboxaldehyde,4-methyl-2-[4-(trifluoromethyl)phenyl]-;4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde, AldrichCPR

Chemical Property of 4-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 114-115°C
• Refractive Index: 1.555
• Boiling Point: 362.3°Cat760mmHg
• Flash Point: 172.9°C
• PSA: 58.20000
• Density: 1.363g/cm³
• LogP: 3.94980
• Storage Temp.: 2-8°C
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 271.02786954
• Heavy Atom Count: 18
• Complexity: 302

Purity/Quality:

97% ^*data from raw suppliers

4-Methyl-2-(4-(trifluoromethyl)phenyl)thiazole-5-carbaldehyde 95+% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn,T
• Statements: 36/37/38-20/21/22-43-25
• Safety Statements: 26-36/37/39-22-45-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(SC(=N1)C2=CC=C(C=C2)C(F)(F)F)C=O

Technology Process of 4-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde

There total 3 articles about 4-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde 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: 82.0%

[4-methyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-yl]-methanol (317318-96-0) → 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde (438577-61-8)

Guidance literature:

With Dess-Martin periodane; In dichloromethane; at 20 ℃; for 3h;

DOI:10.1080/00397911.2021.1884262

Reference yield:

4-methyl-2-[4-(trifluoromethyl)phenyl]thiazole-5-carboxylic acid ethyl ester (175277-03-9) → 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde (438577-61-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 80.2 g / LiAlH₄ / tetrahydrofuran / 1.3 h / 20 °C

2: 62.5 percent / PCC / CH₂Cl₂ / 3 h / 20 °C

With lithium aluminium tetrahydride; pyridinium chlorochromate; In tetrahydrofuran; dichloromethane;

DOI:10.1021/jm058056x

Reference yield:

4-trifluoromethylbenzthioamide (72505-21-6) → 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde (438577-61-8)

Guidance literature:

Multi-step reaction with 3 steps

1: ethanol / 24 h / Heating

2: 80.2 g / LiAlH₄ / tetrahydrofuran / 1.3 h / 20 °C

3: 62.5 percent / PCC / CH₂Cl₂ / 3 h / 20 °C

With lithium aluminium tetrahydride; pyridinium chlorochromate; In tetrahydrofuran; ethanol; dichloromethane;

DOI:10.1021/jm058056x

upstream raw materials:

[4-methyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-yl]-methanol

4-trifluoromethylbenzthioamide

4-methyl-2-[4-(trifluoromethyl)phenyl]thiazole-5-carboxylic acid ethyl ester

Downstream raw materials:

3-(4-{[4-methyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-ylmethyl]-amino}-phenyl)-propionic acid

ethyl (E/Z)-[2-methyl-4-(2-{4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}ethenyl)phenoxy]acetate

C₂₀H₁₇F₃N₂O₃S

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