(2-Methyl-1,3-thiazol-4-yl)methanol

Base Information

• Chemical Name: (2-Methyl-1,3-thiazol-4-yl)methanol
• CAS No.: 76632-23-0
• Molecular Formula: C5H7NOS
• Molecular Weight: 129.183
• Hs Code.: 2934100090
• European Community (EC) Number: 804-502-8
• DSSTox Substance ID: DTXSID10441960
• Wikidata: Q82258984
• Mol file: 76632-23-0.mol

Synonyms:(2-methyl-1,3-thiazol-4-yl)methanol;76632-23-0;(2-Methylthiazol-4-yl)methanol;4-Hydroxymethyl-2-methylthiazole;4-(hydroxymethyl)-2-methylthiazole;4-Thiazolemethanol, 2-methyl-;(2-Methyl-thiazol-4-yl)-methanol;2-methyl-4-thiazolemethanol;SCHEMBL914923;AMY4969;DTXSID10441960;KRCIFTBSQKDYMH-UHFFFAOYSA-N;4-Hydroxymethyl-2-methyl thiazole;BDA63223;MFCD08703637;AKOS000117993;AS-60073;(2-methyl-1,3-thiazol-4-yl)methyl alcohol;CS-0045367;FT-0713028;EN300-27687;F11140;J-500846;Z240985890

Chemical Property of (2-Methyl-1,3-thiazol-4-yl)methanol

Chemical Property:

• Vapor Pressure: 0.018mmHg at 25°C
• Melting Point: 50 °C
• Refractive Index: 1.58
• Boiling Point: 242.697 °C at 760 mmHg
• PKA: 13.23±0.10(Predicted)
• Flash Point: 100.58 °C
• PSA: 61.36000
• Density: 1.264 g/cm³
• LogP: 0.94380
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 129.02483502
• Heavy Atom Count: 8
• Complexity: 78.8

Purity/Quality:

99% ^*data from raw suppliers

(2-Methyl-1,3-thiazol-4-yl)methanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 37/38-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=CS1)CO
• Uses: 2-Methyl-4-thiazolemethanol is a useful reagent in study of modified arylsulfonamide HIV protease inhibitors.

Technology Process of (2-Methyl-1,3-thiazol-4-yl)methanol

There total 2 articles about (2-Methyl-1,3-thiazol-4-yl)methanol 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: 92.0%

ethyl 2-methylthiazole-4-carboxylate (6436-59-5) → 4-(hydroxymethyl)-2-methylthiazole (76632-23-0)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; diethyl ether; at -78 ℃; for 3.5h;

Reference yield: 92.0%

ethyl 2-methylthiazole-4-carboxylate (6436-59-5) + Rochelle's salt (304-59-6) → 4-(hydroxymethyl)-2-methylthiazole (76632-23-0)

Guidance literature:

In diethyl ether; ethyl acetate;

Reference yield: 80.0%

4-(hydroxymethyl)-2-methylthiazole (76632-23-0) + bis-(p-nitrophenyl) carbonate (5070-13-3) → C12H10N2O5S (1003889-67-5)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 2h;

upstream raw materials:

ethyl 2-methylthiazole-4-carboxylate

Rochelle's salt

Downstream raw materials:

4-(chloromethyl)-2-methyl-1,3-thiazole

2-methylthiazole-4-carbaldehyde

C₁₂H₁₀N₂O₅S

C₃₃H₄₄N₄O₈S₂