3-(4-Bromophenyl)-2-imino-1,3-thiazolidin-4-one

Base Information

• Chemical Name: 3-(4-Bromophenyl)-2-imino-1,3-thiazolidin-4-one
• CAS No.: 60708-65-8
• Molecular Formula: C9H7BrN2OS
• Molecular Weight: 271.137
• DSSTox Substance ID: DTXSID60976151
• Wikidata: Q82960933

Synonyms:3-(4-bromophenyl)-2-imino-1,3-thiazolidin-4-one;60708-65-8;BRN 4938153;3-(p-Bromophenyl)-2-imino-4-thiazolidone;4-Thiazolidinone, 3-(p-bromophenyl)-2-imino-;C9H7BrN2OS;3-(4-broMophenyl)-2-iMinothiazolidin-4-one;C9-H7-Br-N2-O-S;DTXSID60976151;LS-151616;4-Thiazolidinone, 3-(4-bromophenyl)-2-imino-;SR-01000461914;SR-01000461914-1

Chemical Property of 3-(4-Bromophenyl)-2-imino-1,3-thiazolidin-4-one

Chemical Property:

• Vapor Pressure: 2.87E-05mmHg at 25°C
• Boiling Point: 356.7°Cat760mmHg
• Flash Point: 169.5°C
• PSA: 69.46000
• Density: 1.77g/cm³
• LogP: 2.62840
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 269.94625
• Heavy Atom Count: 14
• Complexity: 264

Purity/Quality:

99% ^*data from raw suppliers

3-(4-Bromophenyl)-2-imino-1,3-thiazolidin-4-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(=O)N(C(=N)S1)C2=CC=C(C=C2)Br

Technology Process of 3-(4-Bromophenyl)-2-imino-1,3-thiazolidin-4-one

There total 2 articles about 3-(4-Bromophenyl)-2-imino-1,3-thiazolidin-4-one 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:

potassium thioacyanate (333-20-0) + N-(4-bromophenyl)-2-chloroacetamide (2564-02-5) → 3-(4-bromo-phenyl)-2-imino-thiazolidin-4-one (60708-65-8)

Guidance literature:

In acetone; for 2h; Reflux;

DOI:10.1016/j.ejmech.2014.12.046

Reference yield:

4-bromo-aniline (106-40-1) → 3-(4-bromo-phenyl)-2-imino-thiazolidin-4-one (60708-65-8)

Guidance literature:

Multi-step reaction with 2 steps

1: benzene / 6 h / Reflux

2: acetone / 2 h / Reflux

In acetone; benzene;

DOI:10.1016/j.ejmech.2014.12.046

Reference yield: 79.0%

p-benzyloxybenzaldehyde (4397-53-9) + 3-(4-bromo-phenyl)-2-imino-thiazolidin-4-one (60708-65-8) → 5-(4-(benzyloxy)benzylidene)-3-(4-bromophenyl)-2-iminothiazolidin-4-one

Guidance literature:

With sodium acetate; acetic acid; at 100 ℃; for 3h;

DOI:10.1016/j.ejmech.2014.12.046

upstream raw materials:

4-bromo-aniline

potassium thioacyanate

N-(4-bromophenyl)-2-chloroacetamide

Downstream raw materials:

[3-(4-bromo-phenyl)-4-oxo-thiazolidin-2-ylidene]-phenyl-thiourea

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