3-(3,4-Dichlorobenzyl)-2-thioxo-1,3-thiazolidin-4-one

Base Information

• Chemical Name: 3-(3,4-Dichlorobenzyl)-2-thioxo-1,3-thiazolidin-4-one
• CAS No.: 34392-98-8
• Molecular Formula: C10H7 Cl2 N O S2
• Molecular Weight: 292.2047
• NSC Number: 139712
• DSSTox Substance ID: DTXSID30300888
• Wikidata: Q82044304

Synonyms:3-(3,4-dichlorobenzyl)-2-thioxo-1,3-thiazolidin-4-one;34392-98-8;NSC139712;CBMicro_020787;SCHEMBL5468446;DTXSID30300888;CCG-13216;STL418325;AKOS000413255;NSC-139712;BIM-0020699.P001

Chemical Property of 3-(3,4-Dichlorobenzyl)-2-thioxo-1,3-thiazolidin-4-one

Chemical Property:

• Vapor Pressure: 5.65E-07mmHg at 25°C
• Boiling Point: 411.3°Cat760mmHg
• Flash Point: 202.5°C
• Density: 1.6g/cm³
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 290.9346116
• Heavy Atom Count: 16
• Complexity: 313

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(=O)N(C(=S)S1)CC2=CC(=C(C=C2)Cl)Cl

Technology Process of 3-(3,4-Dichlorobenzyl)-2-thioxo-1,3-thiazolidin-4-one

There total 2 articles about 3-(3,4-Dichlorobenzyl)-2-thioxo-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: 18.0%

carbon disulfide (75-15-0,12122-00-8) + 3,4-dichlorobenzyl amine (102-49-8) + chloroacetic acid (79-11-8) → 3-(3,4-dichlorobenzyl)-2-thioxothiazolidin-4-one (34392-98-8)

Guidance literature:

carbon disulfide; 3,4-dichlorobenzyl amine; In diethyl ether; at 0 ℃; Inert atmosphere;

chloroacetic acid; In ethanol; at 90 ℃;

Reference yield:

→ 3-(3,4-dichlorobenzyl)-2-thioxothiazolidin-4-one (34392-98-8)

Guidance literature:

/BRN= 189070/;

DOI:10.1021/ja01583a037

Reference yield: 38.0%

4-(5'-formylfuran-2'-yl)benzoic acid (39245-15-3) + 3-(3,4-dichlorobenzyl)-2-thioxothiazolidin-4-one (34392-98-8) → (Z)-4-(5-((3-(3,4-dichlorobenzyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzoic acid

Guidance literature:

With sodium acetate; acetic acid; at 120 ℃; for 4h;

upstream raw materials:

carbon disulfide

3,4-dichlorobenzyl amine

chloroacetic acid

Downstream raw materials:

3-(3,4-dichloro-benzyl)-2-thioxo-thiazolidine-4,5-dione 5-oxime

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