4-[(E)-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl acetate

Base Information

• Chemical Name: 4-[(E)-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl acetate
• CAS No.: 6223-53-6
• Molecular Formula: C19H15NO3S2
• Molecular Weight: 369.4573
• DSSTox Substance ID: DTXSID90361819
• ChEMBL ID: CHEMBL1384529

Synonyms:4-[(E)-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl acetate;[4-[(E)-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] acetate;MLS001197142;6223-53-6;SMR000555514;ZINC01173835;CHEMBL1384529;BDBM67338;cid_1338977;DTXSID90361819;HMS2862J18;AB00104518-01;acetic acid [4-[(E)-(3-benzyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] ester;[4-[(E)-[4-oxidanylidene-3-(phenylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] ethanoate;acetic acid [4-[(E)-[4-oxo-3-(phenylmethyl)-2-sulfanylidene-5-thiazolidinylidene]methyl]phenyl] ester

Chemical Property of 4-[(E)-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl acetate

Chemical Property:

• Vapor Pressure: 2.07E-11mmHg at 25°C
• Boiling Point: 532.3°Cat760mmHg
• Flash Point: 275.7°C
• Density: 1.39g/cm³
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 369.04933569
• Heavy Atom Count: 25
• Complexity: 561

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CC3=CC=CC=C3
• Isomeric SMILES: CC(=O)OC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CC3=CC=CC=C3

Technology Process of 4-[(E)-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl acetate

There total 3 articles about 4-[(E)-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl acetate 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:

6,7,8,9-tetrahydrobenzocyclooctene-5,10-dione (6223-43-4) → 3,3,8,8-Tetrabrom-1,2-benzocycloocten (6223-53-6)

Guidance literature:

With bromine;

Reference yield:

7,8,9,10-tetrahydro-6H-benzocycloocten-5-one (829-14-1) → 3,3,8,8-Tetrabrom-1,2-benzocycloocten (6223-53-6)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) NBS, (ii) H₂O

2: Br₂

With bromine;

Reference yield:

6-phenylhexanic acid (5581-75-9) → 3,3,8,8-Tetrabrom-1,2-benzocycloocten (6223-53-6)

Guidance literature:

Multi-step reaction with 3 steps

1: polyphosphoric acid

2: (i) NBS, (ii) H₂O

3: Br₂

With PPA; bromine;

upstream raw materials:

6,7,8,9-tetrahydrobenzocyclooctene-5,10-dione

7,8,9,10-tetrahydro-6H-benzocycloocten-5-one

6-phenylhexanic acid

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 6223-53-6 4-[(E)-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl acetate

Send

Send

Metric Ton KG G Pound L ML

Send

Send