5-(p-Chlorobenzylidene)-3-methylrhodanine

Base Information

• Chemical Name: 5-(p-Chlorobenzylidene)-3-methylrhodanine
• CAS No.: 23517-83-1
• Molecular Formula: C11H8 Cl N O S2
• Molecular Weight: 269.776
• Hs Code.: 2934999090
• Wikidata: Q76144407
• ChEMBL ID: CHEMBL1821748
• Mol file: 23517-83-1.mol

Synonyms:23517-83-1;5-(p-Chlorobenzylidene)-3-methylrhodanine;BRN 0207468;Rhodanine, 5-(p-chlorobenzylidene)-3-methyl-;(5E)-5-[(4-chlorophenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one;(E)-5-(4-chlorobenzylidene)-3-methyl-2-thioxothiazolidin-4-one;(5Z)-5-[(4-chlorophenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one;C11H8ClNOS2;4-27-00-03384 (Beilstein Handbook Reference);C11-H8-Cl-N-O-S2;5-[1-(4-CHLORO-PHENYL)-METH-(Z)-YLIDENE]-3-METHYL-2-THIOXO-THIAZOLIDIN-4-ONE;CHEMBL1814651;CHEMBL1821748;HMS1427I05;BDBM50350502;STK386785;AKOS000321899;IDI1_010864;LS-143566;F1284-0262;5-(4-Chloro-benzylidene)-3-methyl-2-thioxo-thiazolidin-4-one;(5E)-5-(4-chlorobenzylidene)-3-methyl-2-thioxo-1,3-thiazolidin-4-one;(5E)-5-[(4-chlorophenyl)methylene]-3-methyl-2-thioxo-thiazolidin-4-one;5-[(4-Chlorophenyl)methylene]-3-methyl-2-thioxo-1,3-thiazolidin-4-one

Chemical Property of 5-(p-Chlorobenzylidene)-3-methylrhodanine

Chemical Property:

• Vapor Pressure: 1.81E-06mmHg at 25°C
• Boiling Point: 395.6°Cat760mmHg
• Flash Point: 193.1°C
• PSA: 77.70000
• Density: 1.49g/cm³
• LogP: 3.10890
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 268.9735839
• Heavy Atom Count: 16
• Complexity: 348

Purity/Quality:

99% ^*data from raw suppliers

5-(1-(4-CHLORO-PHENYL)-METH-(Z)-YLIDENE)-3-METHYL-2-THIOXO-THIAZOLIDIN-4-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=O)C(=CC2=CC=C(C=C2)Cl)SC1=S
• Isomeric SMILES: CN1C(=O)/C(=C\C2=CC=C(C=C2)Cl)/SC1=S

Technology Process of 5-(p-Chlorobenzylidene)-3-methylrhodanine

There total 2 articles about 5-(p-Chlorobenzylidene)-3-methylrhodanine 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: 100.0%

3-Methyl-2-thioxo-thiazolidin-4-on (4807-55-0) + 4-chlorobenzaldehyde (104-88-1) → 5-(4-chlorophenylmethylene)-3-methyl-4-oxo-2-thioxothiazolidine (23517-83-1)

Guidance literature:

With sodium acetate; In methanol; for 0.416667h; Heating;

DOI:10.1021/jm050859x

Reference yield: 8.0%

5-(4-chlorobenzylidene)rhodanine (6318-37-2,81154-18-9) + dimethyl sulfate (77-78-1) → 5-(4-chlorophenylmethylene)-3-methyl-4-oxo-2-thioxothiazolidine (23517-83-1) + 2-methylthio-5-p-chlorophenylmethylene-thiazolinone-4 (76979-35-6)

Guidance literature:

With potassium carbonate; In acetone; for 20h; Heating;

Reference yield: 95.0%

5-(4-chlorophenylmethylene)-3-methyl-4-oxo-2-thioxothiazolidine (23517-83-1) → (Z)-3-(4-Chloro-phenyl)-2-mercapto-acrylic acid (5765-76-4)

Guidance literature:

With aluminum oxide; sodium hydroxide; In solid; for 0.0833333h; microwaves (210 W);

upstream raw materials:

3-Methyl-2-thioxo-thiazolidin-4-on

4-chlorobenzaldehyde

5-(4-chlorobenzylidene)rhodanine

dimethyl sulfate

Downstream raw materials:

(Z)-3-(4-Chloro-phenyl)-2-mercapto-acrylic acid