No renderable structure data available
C1=CC(=CC(=C1)Cl)CSChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | (3-chlorophenyl)methanethiol |
|---|---|
| IUPAC Name | — |
| CAS Number | 25697-57-8 |
| Database ID | 11105642 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
(3-chlorophenyl)methanethiol (CAS 25697-57-8) 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 11105642
Safety Notice
For professional research and industrial use only. Review the supplier safety data sheet before handling.
Synthesis data
12 reactions · 12 references
Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-a698518c07a0422881a275c95219821bConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-a698518c07a0422881a275c95219821bConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To the stirred suspension of 1.73 g of sodium hydride in 30 ml of dimethylformamide the solution of 12.7 g of m-chlorobenzylmercaptan is added during 2 minutes and stirring is continued for 15 minutes. Thereupon the solution of 12.25 g of 5-nitro-pyridine-2-carboxylic acid methyl ester in 75 ml of dimethylformamide is added all at once. The mixture is stirred for 1 hour on the steam bath and allowed to stand at room temperature overnight. It is poured onto ice and acetic acid, the suspension obtained filtered and the residue recrystallized from 95% aqueous ethanol, to yield the 5-(m-chlorobenzylmercapto)-2-pyridinecarboxylic acid methyl ester melting at 75°-77°. is added during 2 minutes The mixture is stirred for 1 hour on the steam bath to stand at room temperature overnight the suspension obtained filtered the residue recrystallized from 95% aqueous ethanol
Source ID: ord-b060ace6d4344894886171317ff743bbConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To the stirred suspension of 1.73 g of sodium hydride in 30 ml of dimethylformamide the solution of 12.7 g of m-chlorobenzylmercaptan is added during 2 minutes and stirring is continued for 15 minutes. Thereupon the solution of 12.25 g of 5-nitro-pyridine-2-carboxylic acid methyl ester in 75 ml of dimethylformamide is added all at once. The mixture is stirred for 1 hour on the steam bath and allowed to stand at room temperature overnight. It is poured onto ice and acetic acid, the suspension obtained filtered and the residue recrystallized from 95% aqueous ethanol, to yield the 5-(m-chlorobenzylmercapto)-2-pyridinecarboxylic acid methyl ester melting at 75°-77°. is added during 2 minutes The mixture is stirred for 1 hour on the steam bath to stand at room temperature overnight the suspension obtained filtered the residue recrystallized from 95% aqueous ethanol
Source ID: ord-b060ace6d4344894886171317ff743bbConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To the stirred suspension of 1.73 g of sodium hydride in 30 ml of dimethylformamide the solution of 12.7 g of m-chlorobenzylmercaptan is added during 2 minutes and stirring is continued for 15 minutes. Thereupon the solution of 12.25 g of 5-nitro-pyridine-2-carboxylic acid methyl ester in 75 ml of dimethylformamide is added all at once. The mixture is stirred for 1 hour on the steam bath and allowed to stand at room temperature overnight. It is poured onto ice and acetic acid, the suspension obtained filtered and the residue recrystallized from 95% aqueous ethanol, to yield the 5-(m-chlorobenzylmercapto)-2-pyridinecarboxylic acid methyl ester melting at 75°-77°. is added during 2 minutes The mixture is stirred for 1 hour on the steam bath to stand at room temperature overnight the suspension obtained filtered the residue recrystallized from 95% aqueous ethanol
Source ID: ord-88de1e0b77584be980e9b66023e5c734Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To the stirred suspension of 1.73 g of sodium hydride in 30 ml of dimethylformamide the solution of 12.7 g of m-chlorobenzylmercaptan is added during 2 minutes and stirring is continued for 15 minutes. Thereupon the solution of 12.25 g of 5-nitro-pyridine-2-carboxylic acid methyl ester in 75 ml of dimethylformamide is added all at once. The mixture is stirred for 1 hour on the steam bath and allowed to stand at room temperature overnight. It is poured onto ice and acetic acid, the suspension obtained filtered and the residue recrystallized from 95% aqueous ethanol, to yield the 5-(m-chlorobenzylmercapto)-2-pyridinecarboxylic acid methyl ester melting at 75°-77°. is added during 2 minutes The mixture is stirred for 1 hour on the steam bath to stand at room temperature overnight the suspension obtained filtered the residue recrystallized from 95% aqueous ethanol
Source ID: ord-b060ace6d4344894886171317ff743bbConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: The titled compound (66 mg) was prepared by the method of Example 13, step (c) using the product from Example 13, step (a) (0.20 g) and 3-chloro-benzenemethanethiol (92 mg).
Source ID: ord-b42118146247439dac49f50729d0bfbdConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To the stirred suspension of 1.73 g of sodium hydride in 30 ml of dimethylformamide the solution of 12.7 g of m-chlorobenzylmercaptan is added during 2 minutes and stirring is continued for 15 minutes. Thereupon the solution of 12.25 g of 5-nitro-pyridine-2-carboxylic acid methyl ester in 75 ml of dimethylformamide is added all at once. The mixture is stirred for 1 hour on the steam bath and allowed to stand at room temperature overnight. It is poured onto ice and acetic acid, the suspension obtained filtered and the residue recrystallized from 95% aqueous ethanol, to yield the 5-(m-chlorobenzylmercapto)-2-pyridinecarboxylic acid methyl ester melting at 75°-77°. is added during 2 minutes The mixture is stirred for 1 hour on the steam bath to stand at room temperature overnight the suspension obtained filtered the residue recrystallized from 95% aqueous ethanol
Source ID: ord-1f17f3b677e84fa795de2d935a6d7b8eConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: The titled compound (66 mg) was prepared by the method of Example 13, step (c) using the product from Example 13, step (a) (0.20 g) and 3-chloro-benzenemethanethiol (92 mg).
Source ID: ord-a688e777ab89441982cd6b18492afb09Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To the stirred suspension of 1.73 g of sodium hydride in 30 ml of dimethylformamide the solution of 12.7 g of m-chlorobenzylmercaptan is added during 2 minutes and stirring is continued for 15 minutes. Thereupon the solution of 12.25 g of 5-nitro-pyridine-2-carboxylic acid methyl ester in 75 ml of dimethylformamide is added all at once. The mixture is stirred for 1 hour on the steam bath and allowed to stand at room temperature overnight. It is poured onto ice and acetic acid, the suspension obtained filtered and the residue recrystallized from 95% aqueous ethanol, to yield the 5-(m-chlorobenzylmercapto)-2-pyridinecarboxylic acid methyl ester melting at 75°-77°. is added during 2 minutes The mixture is stirred for 1 hour on the steam bath to stand at room temperature overnight the suspension obtained filtered the residue recrystallized from 95% aqueous ethanol
Source ID: ord-c3936203f5dc4a8f9a71962cf82be774Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To the stirred suspension of 1.73 g of sodium hydride in 30 ml of dimethylformamide the solution of 12.7 g of m-chlorobenzylmercaptan is added during 2 minutes and stirring is continued for 15 minutes. Thereupon the solution of 12.25 g of 5-nitro-pyridine-2-carboxylic acid methyl ester in 75 ml of dimethylformamide is added all at once. The mixture is stirred for 1 hour on the steam bath and allowed to stand at room temperature overnight. It is poured onto ice and acetic acid, the suspension obtained filtered and the residue recrystallized from 95% aqueous ethanol, to yield the 5-(m-chlorobenzylmercapto)-2-pyridinecarboxylic acid methyl ester melting at 75°-77°. is added during 2 minutes The mixture is stirred for 1 hour on the steam bath to stand at room temperature overnight the suspension obtained filtered the residue recrystallized from 95% aqueous ethanol
Source ID: ord-88de1e0b77584be980e9b66023e5c734Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To the stirred suspension of 1.73 g of sodium hydride in 30 ml of dimethylformamide the solution of 12.7 g of m-chlorobenzylmercaptan is added during 2 minutes and stirring is continued for 15 minutes. Thereupon the solution of 12.25 g of 5-nitro-pyridine-2-carboxylic acid methyl ester in 75 ml of dimethylformamide is added all at once. The mixture is stirred for 1 hour on the steam bath and allowed to stand at room temperature overnight. It is poured onto ice and acetic acid, the suspension obtained filtered and the residue recrystallized from 95% aqueous ethanol, to yield the 5-(m-chlorobenzylmercapto)-2-pyridinecarboxylic acid methyl ester melting at 75°-77°. is added during 2 minutes The mixture is stirred for 1 hour on the steam bath to stand at room temperature overnight the suspension obtained filtered the residue recrystallized from 95% aqueous ethanol
Source ID: ord-b060ace6d4344894886171317ff743bbPubChem References
These sources are listed in the compound's public database record.
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