(2,4-Dimethyl-thiazol-5-yl)-acetic acid

Base Information

• Chemical Name: (2,4-Dimethyl-thiazol-5-yl)-acetic acid
• CAS No.: 34272-65-6
• Molecular Formula: C7H9NO2S
• Molecular Weight: 171.22
• Hs Code.: 2934100090
• European Community (EC) Number: 800-134-7
• DSSTox Substance ID: DTXSID70187837
• Nikkaji Number: J59.589F
• Wikidata: Q72472195
• Mol file: 34272-65-6.mol

Synonyms:34272-65-6;(2,4-Dimethyl-thiazol-5-yl)-acetic acid;2-(2,4-Dimethylthiazol-5-yl)acetic acid;(2,4-dimethyl-1,3-thiazol-5-yl)acetic acid;2-(2,4-dimethyl-1,3-thiazol-5-yl)acetic acid;2-(DIMETHYL-1,3-THIAZOL-5-YL)ACETIC ACID;5-Thiazoleacetic acid, 2,4-dimethyl-;2,4-Dimethyl-5-thiazoleacetic acid;BRN 0135369;2,4-dimethylthiazole-5-acetic acid;4-27-00-04024 (Beilstein Handbook Reference);SCHEMBL873381;DTXSID70187837;MFCD01681584;AKOS000271178;AB09737;SS-4578;2-(2,4-Dimethylthiazol-5-yl)aceticacid;AM803733;(2,4-DIMETHylthiaZOL-5-YL)acetic acid;2,4-DIMEHTYL-5-THIAZOLEACETIC ACID;LS-150736;BB 0220501;CS-0052234;FT-0762652;VU0509238-1;EN300-236130;A822148;AF-399/25053009;F3099-7071

Chemical Property of (2,4-Dimethyl-thiazol-5-yl)-acetic acid

Chemical Property:

• Vapor Pressure: 0.000131mmHg at 25°C
• Refractive Index: 1.572
• Boiling Point: 320.5 °C at 760 mmHg
• Flash Point: 147.7 °C
• PSA: 78.43000
• Density: 1.295 g/cm³
• LogP: 1.38700
• Storage Temp.: 2-8°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 171.03539970
• Heavy Atom Count: 11
• Complexity: 163

Purity/Quality:

98%,99%, ^*data from raw suppliers

(2,4-Dimethyl-thiazol-5-yl)aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (2,4-Dimethyl-thiazol-5-yl)-acetic acid

There total 5 articles about (2,4-Dimethyl-thiazol-5-yl)-acetic 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: 24.0%

ethyl 2-(2,4-dimethylthiazol-5-yl)acetate (405921-41-7) → (2,4-dimethyl-1,3-thiazole-5-yl)acetic acid (34272-65-6)

Guidance literature:

With potassium hydroxide; In methanol; at 20 ℃; Large scale reaction;

DOI:10.1021/op1001148

Reference yield:

levulinic acid (123-76-2) → (2,4-dimethyl-1,3-thiazole-5-yl)acetic acid (34272-65-6)

Guidance literature:

Multi-step reaction with 3 steps

1: hydrogenchloride; bromine / water / -5 - 20 °C / Large scale reaction

2: 2 h / Reflux; Large scale reaction

3: potassium hydroxide / methanol / 20 °C / Large scale reaction

With hydrogenchloride; bromine; potassium hydroxide; In methanol; water;

DOI:10.1021/op1001148

Reference yield:

3-bromolevulinic acid (62557-43-1) → (2,4-dimethyl-1,3-thiazole-5-yl)acetic acid (34272-65-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 2 h / Reflux; Large scale reaction

2: potassium hydroxide / methanol / 20 °C / Large scale reaction

With potassium hydroxide; In methanol;

DOI:10.1021/op1001148

upstream raw materials:

ethyl 2-(2,4-dimethylthiazol-5-yl)acetate

thioacetamide

3-bromolevulinic acid

ethanol

Downstream raw materials:

C₂₄H₂₉N₇O₂S

2-(2,4-dimethyl-thiazol-5-yl)-acetamide

(2,4-dimethyl-thiazol-5-yl)-acetonitrile

2-(2,4-dimethyl-thiazol-5-yl)-ethylamine

Refernces