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CC1=CC=CC=C1C(=S)NChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | 2-methylbenzenecarbothioamide |
|---|---|
| IUPAC Name | — |
| CAS Number | 53515-19-8 |
| Database ID | 816810 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
2-methylbenzenecarbothioamide (CAS 53515-19-8) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
Potential Applications
For professional research and industrial use only
Database ID 816810
Safety Notice
For professional research and industrial use only. Review the supplier safety data sheet before handling.
Synthesis data
9 reactions · 9 references
Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-f23f5b7b4dcd417db3c9319461f3b7a4Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: In analogy to the procedure described in example 14 b], [rac]-2-ethoxy-3-(3-fluoro-4-hydroxy-phenyl)-propionic acid ethyl ester (example 7 a]) was reacted with 4-chloromethyl-2-p-tolyl-thiazole (prepared from 4 methyl-thiobenzamide and 1,3-dichloroacetone in analogy to the procedure described in example 4 a]) in the presence of cesium carbonate and potassium iodide to yield [rac]-2-ethoxy-3-[3-fluoro-4-(2-p-tolyl-thiazol-4-ylmethoxy)-phenyl]-propionic acid ethyl ester, which was further saponified in analogy to the procedure described in example 4 e], to yield [rac]-2-ethoxy-3-[3-fluoro-4-(2-p-tolyl-thiazol-4-ylmethoxy)-phenyl]-propionic acid as light yellow solid.
Source ID: ord-44b43c66bbdf4c568def9ef9250446cbConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 2-Methylthiobenzamide in an amount of 1.67 g is suspended in 25 ml of dry xylene. After addition of 1.54 g of 4-chlorophenylisocyanate, the reaction mixture is refluxed over night. After cooling to room temperature the desired product crystallizes in a yield of 2.8 g, m.p. 211° C. The same result is obtained when 2-methylthiobenzoyl isocyanate is reacted with 4-chloroaniline. the reaction mixture is refluxed over night
Source ID: ord-3e9f87db5c6c47a4be9c7f15f23b8c67Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: In analogy to the procedure described in example 14 b], [rac]-2-ethoxy-3-(3-fluoro-4-hydroxy-phenyl)-propionic acid ethyl ester (example 7 a]) was reacted with 4-chloromethyl-2-p-tolyl-thiazole (prepared from 4 methyl-thiobenzamide and 1,3-dichloroacetone in analogy to the procedure described in example 4 a]) in the presence of cesium carbonate and potassium iodide to yield [rac]-2-ethoxy-3-[3-fluoro-4-(2-p-tolyl-thiazol-4-ylmethoxy)-phenyl]-propionic acid ethyl ester, which was further saponified in analogy to the procedure described in example 4 e], to yield [rac]-2-ethoxy-3-[3-fluoro-4-(2-p-tolyl-thiazol-4-ylmethoxy)-phenyl]-propionic acid as light yellow solid.
Source ID: ord-44b43c66bbdf4c568def9ef9250446cbConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: In analogy to the procedure described in example 14 b], [rac]-2-ethoxy-3-(3-fluoro-4-hydroxy-phenyl)-propionic acid ethyl ester (example 7 a]) was reacted with 4-chloromethyl-2-p-tolyl-thiazole (prepared from 4 methyl-thiobenzamide and 1,3-dichloroacetone in analogy to the procedure described in example 4 a]) in the presence of cesium carbonate and potassium iodide to yield [rac]-2-ethoxy-3-[3-fluoro-4-(2-p-tolyl-thiazol-4-ylmethoxy)-phenyl]-propionic acid ethyl ester, which was further saponified in analogy to the procedure described in example 4 e], to yield [rac]-2-ethoxy-3-[3-fluoro-4-(2-p-tolyl-thiazol-4-ylmethoxy)-phenyl]-propionic acid as light yellow solid.
Source ID: ord-44b43c66bbdf4c568def9ef9250446cbConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 2-Methylthiobenzamide in an amount of 1.67 g is suspended in 25 ml of dry xylene. After addition of 1.54 g of 4-chlorophenylisocyanate, the reaction mixture is refluxed over night. After cooling to room temperature the desired product crystallizes in a yield of 2.8 g, m.p. 211° C. The same result is obtained when 2-methylthiobenzoyl isocyanate is reacted with 4-chloroaniline. the reaction mixture is refluxed over night
Source ID: ord-3e9f87db5c6c47a4be9c7f15f23b8c67Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-f23f5b7b4dcd417db3c9319461f3b7a4Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: In analogy to the procedure described in example 14 b], [rac]-2-ethoxy-3-(3-fluoro-4-hydroxy-phenyl)-propionic acid ethyl ester (example 7 a]) was reacted with 4-chloromethyl-2-p-tolyl-thiazole (prepared from 4 methyl-thiobenzamide and 1,3-dichloroacetone in analogy to the procedure described in example 4 a]) in the presence of cesium carbonate and potassium iodide to yield [rac]-2-ethoxy-3-[3-fluoro-4-(2-p-tolyl-thiazol-4-ylmethoxy)-phenyl]-propionic acid ethyl ester, which was further saponified in analogy to the procedure described in example 4 e], to yield [rac]-2-ethoxy-3-[3-fluoro-4-(2-p-tolyl-thiazol-4-ylmethoxy)-phenyl]-propionic acid as light yellow solid.
Source ID: ord-44b43c66bbdf4c568def9ef9250446cbConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 2-Methylthiobenzamide in an amount of 1.67 g is suspended in 25 ml of dry xylene. After addition of 1.54 g of 4-chlorophenylisocyanate, the reaction mixture is refluxed over night. After cooling to room temperature the desired product crystallizes in a yield of 2.8 g, m.p. 211° C. The same result is obtained when 2-methylthiobenzoyl isocyanate is reacted with 4-chloroaniline. the reaction mixture is refluxed over night
Source ID: ord-3e9f87db5c6c47a4be9c7f15f23b8c67PubChem References
These sources are listed in the compound's public database record.
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