3-Thiazolidinepropanoic acid, alpha,alpha-dimethyl-2-((2-methoxyphenoxy)methyl)-beta-oxo-, ethyl ester

Base Information

• Chemical Name: 3-Thiazolidinepropanoic acid, alpha,alpha-dimethyl-2-((2-methoxyphenoxy)methyl)-beta-oxo-, ethyl ester
• CAS No.: 161364-68-7
• Molecular Formula: C18H25 N O5 S
• Molecular Weight: 367.466
• DSSTox Substance ID: DTXSID30936505
• ChEMBL ID: CHEMBL359039
• Mol file: 161364-68-7.mol

Synonyms:161364-68-7;Ethyl 2-((2-methoxyphenoxy)methyl)-alpha,alpha-dimethyl-beta-oxo-1,3-thiazolidine-3-propionate;3-Thiazolidinepropanoic acid, alpha,alpha-dimethyl-2-((2-methoxyphenoxy)methyl)-beta-oxo-, ethyl ester;ethyl 3-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2,2-dimethyl-3-oxopropanoate;3-Thiazolidinepropanoic acid, alpha,alpha-dimethyl-2-((2-methoxyphenox y)methyl)-beta-oxo-, ethyl es;Ethyl 3-{2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl}-2,2-dimethyl-3-oxopropanoate;C18H25NO5S;CHEMBL359039;DTXSID30936505;BBCSPZIDOSQDPM-UHFFFAOYSA-N;C18-H25-N-O5-S;LS-151524

Chemical Property of 3-Thiazolidinepropanoic acid, alpha,alpha-dimethyl-2-((2-methoxyphenoxy)methyl)-beta-oxo-, ethyl ester

Chemical Property:

• Vapor Pressure: 1.13E-10mmHg at 25°C
• Boiling Point: 513.9°Cat760mmHg
• PKA: -2.10±0.40(Predicted)
• Flash Point: 264.6°C
• PSA: 90.37000
• Density: 1.185g/cm³
• LogP: 2.50270
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 367.14534407
• Heavy Atom Count: 25
• Complexity: 470

Purity/Quality:

99%min ^*data from raw suppliers

ALPHA,ALPHA-DIMETHYL-2-((2-METHOXYPHENOXY)METHYL)-BETA-OXO-3-THIAZOLIDINEPROPANOIC ACID ETHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C)(C)C(=O)N1CCSC1COC2=CC=CC=C2OC

Technology Process of 3-Thiazolidinepropanoic acid, alpha,alpha-dimethyl-2-((2-methoxyphenoxy)methyl)-beta-oxo-, ethyl ester

There total 1 articles about 3-Thiazolidinepropanoic acid, alpha,alpha-dimethyl-2-((2-methoxyphenoxy)methyl)-beta-oxo-, ethyl ester 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: 65.0%

2-chlorocarbonyl-2-methylpropanoic acid ethyl ester (64244-87-7) + 2-(2-methoxy-phenoxymethyl)-1,3-thiazolidine (103181-68-6,119562-05-9,119562-07-1) → ethyl 2-<(2-methoxyphenoxy)methyl>-α,α-dimethyl-β-oxo-1,3-thiazolidine-3-propionate (161364-68-7)

Guidance literature:

With potassium hydrogencarbonate; In ethyl acetate; at 0 ℃; for 1.5h;

DOI:10.1021/jm00003a014

Reference yield: 75.0%

ethyl 2-<(2-methoxyphenoxy)methyl>-α,α-dimethyl-β-oxo-1,3-thiazolidine-3-propionate (161364-68-7) → 3-[2-(2-Methoxy-phenoxymethyl)-1-oxo-1λ4-thiazolidin-3-yl]-2,2-dimethyl-3-oxo-propionic acid ethyl ester

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 0 ℃;

DOI:10.1021/jm00003a014

Reference yield: 63.0%

ethyl 2-<(2-methoxyphenoxy)methyl>-α,α-dimethyl-β-oxo-1,3-thiazolidine-3-propionate (161364-68-7) → 2-<(2-methoxyphenoxy)methyl>-α,α-dimethyl-β-oxo-1,3-thiazolidine-3-propionic acid

Guidance literature:

With sodium hydroxide; In ethanol; for 8h; Ambient temperature;

DOI:10.1021/jm00003a014

upstream raw materials:

2-chlorocarbonyl-2-methylpropanoic acid ethyl ester

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

Refernces