Ethyl ((4-(2-benzothiazolyl)phenyl)methyl)(2-oxo-3-thiazolidinyl)phosphinate

Base Information

• Chemical Name: Ethyl ((4-(2-benzothiazolyl)phenyl)methyl)(2-oxo-3-thiazolidinyl)phosphinate
• CAS No.: 127881-45-2
• Molecular Formula: C₁₉H₁₉N₂O₃PS₂
• Molecular Weight: 418.477
• DSSTox Substance ID: DTXSID20926016
• Nikkaji Number: J336.686C
• ChEMBL ID: CHEMBL303662
• Mol file: 127881-45-2.mol

Synonyms:BRN 4213335;127881-45-2;Ethyl ((4-(2-benzothiazolyl)phenyl)methyl)(2-oxo-3-thiazolidinyl)phosphinate;Phosphinic acid, ((4-(2-benzothiazolyl)phenyl)methyl)(2-oxo-3-thiazolidinyl)-, ethyl ester;CHEMBL303662;C19H19N2O3PS2;DTXSID20926016;C19-H19-N2-O3-P-S2;LS-106110;[4-(2-Benzothiazolyl)benzyl](2-oxo-3-thiazolidinyl)phosphinic acid ethyl ester;Ethyl {[4-(1,3-benzothiazol-2-yl)phenyl]methyl}(2-oxo-1,3-thiazolidin-3-yl)phosphinate

Chemical Property of Ethyl ((4-(2-benzothiazolyl)phenyl)methyl)(2-oxo-3-thiazolidinyl)phosphinate

Chemical Property:

• Vapor Pressure: 1.45E-13mmHg at 25°C
• Boiling Point: 582.6°C at 760 mmHg
• Flash Point: 306.2°C
• Density: 1.42g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 418.05747182
• Heavy Atom Count: 27
• Complexity: 585

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(CC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2)N4CCSC4=O

Technology Process of Ethyl ((4-(2-benzothiazolyl)phenyl)methyl)(2-oxo-3-thiazolidinyl)phosphinate

There total 2 articles about Ethyl ((4-(2-benzothiazolyl)phenyl)methyl)(2-oxo-3-thiazolidinyl)phosphinate 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:

fostedil (75889-62-2) → (4-Benzothiazol-2-yl-benzyl)-(2-oxo-thiazolidin-3-yl)-phosphinic acid ethyl ester (127881-45-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 100 percent / SOCl₂, DMF / 3 h / Heating

With thionyl chloride; N,N-dimethyl-formamide;

DOI:10.1021/jm00170a024

Reference yield:

thiazolidine-2-one (2682-49-7) + ethyl (4-benzothiazol-2-ylbenzyl)phosphonochloridate hydrochloride (104608-47-1) → (4-Benzothiazol-2-yl-benzyl)-(2-oxo-thiazolidin-3-yl)-phosphinic acid ethyl ester (127881-45-2)

Guidance literature:

Yield given. Multistep reaction;

DOI:10.1021/jm00170a024

upstream raw materials:

thiazolidine-2-one

ethyl (4-benzothiazol-2-ylbenzyl)phosphonochloridate hydrochloride

fostedil