4-Methyl-5-thiazoleacetic acid

Base Information

• Chemical Name: 4-Methyl-5-thiazoleacetic acid
• CAS No.: 5255-33-4
• Molecular Formula: C6H7NO2S
• Molecular Weight: 157.193
• European Community (EC) Number: 226-056-8
• DSSTox Substance ID: DTXSID50200538
• Nikkaji Number: J59.592F
• Wikidata: Q83073680
• Mol file: 5255-33-4.mol

Synonyms:5255-33-4;4-Methyl-5-thiazoleacetic acid;2-(4-Methyl-5-thiazolyl)acetic Acid;2-(4-methyl-1,3-thiazol-5-yl)acetic acid;5-THIAZOLEACETIC ACID, 4-METHYL-;2-(4-Methylthiazol-5-yl)acetic acid;4-Methylthiazol-5-acetic acid;BRN 0120919;Acide methyl-4 thiazole-acetique-5;EINECS 226-056-8;Acide methyl-4 thiazole-acetique-5 [French];MFCD01681551;4-27-00-04018 (Beilstein Handbook Reference);2-(4-Methyl-5-thiazolyl)aceticAcid;4-METHYL-5-THIAZOLEACETICACID;4-methylthiazole-5-acetic-acid;SCHEMBL2208741;DTXSID50200538;CHEBI:185905;AC1428;AKOS006276495;AB09733;AC-13449;CS-11918;SY033094;LS-150758;(4-Methyl-1,3-thiazol-5-yl)acetic acid #;CS-0308286;FT-0714149;_x000D_2-(4-Methyl-5-thiazolyl)acetic Acid;EN300-1139372;A870963

Chemical Property of 4-Methyl-5-thiazoleacetic acid

Chemical Property:

• Vapor Pressure: 0.000189mmHg at 25°C
• Refractive Index: 1.582
• Boiling Point: 315.1 °C at 760 mmHg
• Flash Point: 144.4 °C
• PSA: 78.43000
• Density: 1.356 g/cm³
• LogP: 1.07860
• Storage Temp.: 2-8°C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 157.01974964
• Heavy Atom Count: 10
• Complexity: 140

Purity/Quality:

99% ^*data from raw suppliers

2-(4-Methyl-5-thiazolyl)aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Methyl-5-thiazoleacetic acid

There total 4 articles about 4-Methyl-5-thiazoleacetic 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:

5-hydroxyethyl-4-methylthiazole (137-00-8,8042-97-5) → (4-methylthiazol-5-yl)acetic acid (5255-33-4)

Guidance literature:

With ruthenium trichloride; sodium periodate; In water; ethyl acetate; acetonitrile; at 20 ℃; for 2h; Reagent/catalyst; Temperature; Solvent;

Reference yield:

(4-methyl-thiazol-5-yl)-acetic acid ethyl ester (406727-23-9) → (4-methylthiazol-5-yl)acetic acid (5255-33-4)

Guidance literature:

With potassium hydroxide;

DOI:10.1021/ja01288a028

Reference yield:

vitamin B1 (59-43-8) → 4-amino-2-methylpyrimidine-5-carbaldehyde (73-68-7) + (4-methylthiazol-5-yl)acetic acid (5255-33-4)

Guidance literature:

With potassium permanganate; sulfuric acid; sodium sulfate; In water; at 25 ℃; Concentration; Temperature; Kinetics; Thermodynamic data;

DOI:10.1002/kin.20991

upstream raw materials:

(4-methyl-thiazol-5-yl)-acetic acid ethyl ester

vitamin B₁

5-hydroxyethyl-4-methylthiazole

Downstream raw materials:

4-methyl-1,3-thiazole-5-carbaldehyde

Refernces

• 1、 -. "Synthesis method of 4-methylthiazole-5-formaldehyde". Paragraph 0028; 0031-0033; 0036-0038; 0041-0043. . Retrieved 2021/05/01.