5-(4-Fluorobenzyl)thiazolidine-2,4-dione

Base Information

• Chemical Name: 5-(4-Fluorobenzyl)thiazolidine-2,4-dione
• CAS No.: 291536-42-0
• Molecular Formula: C₁₀H₈FNO₂S
• Molecular Weight: 225.243
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID90433404
• Nikkaji Number: J1.344.003D
• Mol file: 291536-42-0.mol

Synonyms:291536-42-0;5-(4-FLUOROBENZYL)THIAZOLIDINE-2,4-DIONE;5-(4-FLUOROBENZYL)-2,4-THIAZOLIDINEDIONE;5-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione;5-(4-fluorobenzyl)-1,3-thiazolidine-2,4-dione;SCHEMBL5576600;DTXSID90433404;AC5815;MFCD12024822;AKOS015917935;SY005290;A5466;CS-0450516;FT-0668621;J-017410;2,4-Thiazolidinedione, 5-[(4-fluorophenyl)methyl]-

Chemical Property of 5-(4-Fluorobenzyl)thiazolidine-2,4-dione

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.602
• Boiling Point: 398.262ºCat 760 mmHg
• Flash Point: 194.662ºC
• PSA: 71.47000
• Density: 1.41 g/cm³
• LogP: 2.04860
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 225.02597783
• Heavy Atom Count: 15
• Complexity: 277

Purity/Quality:

97% ^*data from raw suppliers

5-(4-Fluorobenzyl)-2,4-thiazolidinedione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CC2C(=O)NC(=O)S2)F
• Uses: 5-(4-Fluorobenzyl)-2,4-thiazolidinedione (cas# 291536-42-0) is a compound useful in organic synthesis.

Technology Process of 5-(4-Fluorobenzyl)thiazolidine-2,4-dione

There total 4 articles about 5-(4-Fluorobenzyl)thiazolidine-2,4-dione 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-(4-fluoro-benzyl)-2-imino-thiazolidin-4-one (301174-66-3) → 5-(4-fluorophenylmethyl)-2,4-thiazolidinedione (291536-42-0)

Guidance literature:

With hydrogenchloride;

Reference yield:

4-fluoroaniline (371-40-4) → 5-(4-fluorophenylmethyl)-2,4-thiazolidinedione (291536-42-0)

Guidance literature:

Multi-step reaction with 3 steps

1.1: HBr; NaNO₂

1.2: methanol

2.1: HCl

With hydrogenchloride; hydrogen bromide; sodium nitrite;

Reference yield:

methyl 2-bromo-3-(4-fluorophenyl)propionate (82455-06-9) → 5-(4-fluorophenylmethyl)-2,4-thiazolidinedione (291536-42-0)

Guidance literature:

Multi-step reaction with 2 steps

1: HCl

With hydrogenchloride;

upstream raw materials:

5-(4-fluoro-benzyl)-2-imino-thiazolidin-4-one

4-fluoroaniline

methyl 2-bromo-3-(4-fluorophenyl)propionate

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