5-Methylthiazole-4-carbaldehyde

Base Information

• Chemical Name: 5-Methylthiazole-4-carbaldehyde
• CAS No.: 261710-79-6
• Molecular Formula: C5H5 N O S
• Molecular Weight: 127.167
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID50454892
• Wikidata: Q82276684
• Mol file: 261710-79-6.mol

Synonyms:5-Methylthiazole-4-carbaldehyde;261710-79-6;5-methyl-1,3-thiazole-4-carbaldehyde;5-methyl-4-thiazolecarboxaldehyde;SCHEMBL859560;5-methyl-4-Thiazolecarbaldehyde;5-Methyl-thiazole-4-carbaldehyde;DTXSID50454892;BEVOHAAXXVHNQE-UHFFFAOYSA-N;MFCD10700245;AKOS006305822;AB62627;DS-15639;CS-0054977;F12255;EN300-4296238;A877341;Z1198279987

Chemical Property of 5-Methylthiazole-4-carbaldehyde

Chemical Property:

• Boiling Point: 228.1±20.0 °C(Predicted)
• PKA: 0.99±0.10(Predicted)
• PSA: 58.20000
• Density: 1.270±0.06 g/cm3(Predicted)
• LogP: 1.26400
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 127.00918496
• Heavy Atom Count: 8
• Complexity: 96.4

Purity/Quality:

97% ^*data from raw suppliers

5-Methylthiazole-4-carbaldehyde 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(N=CS1)C=O

Technology Process of 5-Methylthiazole-4-carbaldehyde

There total 2 articles about 5-Methylthiazole-4-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: 56.0%

5-methyl-thiazole-4-carboxylic acid ethyl ester (61323-26-0) → 5-methyl-thiazole-4-carbaldehyde (261710-79-6)

Guidance literature:

With diisobutylaluminium hydride; In dichloromethane; for 1.5h;

DOI:10.1021/jm0003844

Reference yield:

5-methyl-thiazole-4-carboxylic acid ethyl ester (61323-26-0) + DIBAL [diisobutylaluminum hydride] + methanol (MeOH) → 5-methyl-thiazole-4-carbaldehyde (261710-79-6)

Guidance literature:

With diisobutylaluminium hydride; acetic acid; In dichloromethane (CH₂Cl₂); dichloromethane; water;

Reference yield: 56.0%

1-bromo-3-chlorobenzene (108-37-2) + 5-methyl-thiazole-4-carbaldehyde (261710-79-6) → rac-(3-chlorophenyl)(5-methyl-1,3-thiazol-4-yl)methanol

Guidance literature:

1-bromo-3-chlorobenzene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h; Inert atmosphere;

5-methyl-thiazole-4-carbaldehyde; In tetrahydrofuran; hexane; at -78 ℃; for 1h; Inert atmosphere;

upstream raw materials:

5-methyl-thiazole-4-carboxylic acid ethyl ester