2-((2-Methoxyphenoxy)methyl)-beta-oxo-3-thiazolidinepropanoic acid

Base Information

• Chemical Name: 2-((2-Methoxyphenoxy)methyl)-beta-oxo-3-thiazolidinepropanoic acid
• CAS No.: 161364-63-2
• Molecular Formula: C₁₄H₁₇NO₅S
• Molecular Weight: 311.359
• DSSTox Substance ID: DTXSID30936500
• Nikkaji Number: J3.082.132G
• ChEMBL ID: CHEMBL151659

Synonyms:2-((2-Methoxyphenoxy)methyl)-beta-oxo-3-thiazolidinepropanoic acid;3-Thiazolidinepropanoic acid, 2-((2-methoxyphenoxy)methyl)-beta-oxo-;161364-63-2;CHEMBL151659;SCHEMBL9494330;DTXSID30936500;LS-151526;3-[2-(2-Methoxyphenoxymethyl)thiazolidine-3-yl]-3-oxopropionic acid;3-{2-[(2-Methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl}-3-oxopropanoic acid

Chemical Property of 2-((2-Methoxyphenoxy)methyl)-beta-oxo-3-thiazolidinepropanoic acid

Chemical Property:

• Vapor Pressure: 7.44E-13mmHg at 25°C
• Boiling Point: 548.3°Cat760mmHg
• Flash Point: 285.4°C
• Density: 1.324g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 311.08274382
• Heavy Atom Count: 21
• Complexity: 378

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC=C1OCC2N(CCS2)C(=O)CC(=O)O

Technology Process of 2-((2-Methoxyphenoxy)methyl)-beta-oxo-3-thiazolidinepropanoic acid

There total 3 articles about 2-((2-Methoxyphenoxy)methyl)-beta-oxo-3-thiazolidinepropanoic 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: 75.0%

2-[2-methoxy-phenoxymethyl)-3-ethoxycarbonylacetyl-1,3-thiazolidine (119637-67-1,126145-23-1,177313-65-4) → 2-<(2-methoxyphenoxy)methyl>-β-oxo-1,3-thiazolidine-3-propionic acid (126128-00-5,161364-63-2)

Guidance literature:

With sodium hydroxide; In ethanol; for 2h;

DOI:10.1021/jm00003a014

Reference yield:

2-[2-methoxy-phenoxymethyl)-3-ethoxycarbonylacetyl-1,3-thiazolidine (119637-67-1,126145-23-1,177313-65-4) → (R,S)-2-(2-methoxy-phenoxymethyl)-3-carboxyacetyl-1,3-thiazolidine, sodium salt + 2-<(2-methoxyphenoxy)methyl>-β-oxo-1,3-thiazolidine-3-propionic acid (126128-00-5,161364-63-2)

Guidance literature:

With sodium hydroxide; In ethanol;

Reference yield:

aqueous N NaOH + potassium carbonate (584-08-7) + 2-(2-methoxy-phenoxymethyl)-1,3-thiazolidine (103181-68-6,119562-05-9,119562-07-1) + malonoyl dichloride (1663-67-8) → 2-<(2-methoxyphenoxy)methyl>-β-oxo-1,3-thiazolidine-3-propionic acid (126128-00-5,161364-63-2)

Guidance literature:

In water; ethyl acetate;

upstream raw materials:

2-[2-methoxy-phenoxymethyl)-3-ethoxycarbonylacetyl-1,3-thiazolidine

potassium carbonate

2-(2-methoxy-phenoxymethyl)-1,3-thiazolidine

malonoyl dichloride

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