No renderable structure data available
C1=CC=C(C(=C1)C(=O)N=C=S)ClChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | 2-chlorobenzoyl isothiocyanate |
|---|---|
| IUPAC Name | — |
| CAS Number | 5067-90-3 |
| Database ID | 2757398 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
2-chlorobenzoyl isothiocyanate (CAS 5067-90-3) 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 2757398
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-b0122291e00d485b8d579ac617d3da54Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-fbfa793df54849b9bfb0271275f0b694Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-82f195afea6246e7abeed67385ed517bConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-72128776d1244ebcaae279e744639c2dConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-f1dcece2e052456e9a7eace46e51684aConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Commercially available 2-chloro-1-benzenecarbonyl isothiocyanate (50 μl) was dissolved in ethanol (1 ml) to prepare a solution. 2-Chloro-4-[(6,7-dimethoxy-4-quinolyl)oxy]aniline (50 mg), toluene (5 ml), and ethanol (1 ml) were added to the solution, and the mixture was stirred at room temperature for 2 hr. The reaction solution was concentrated, and the residue was purified by chromatography on silica gel using chloroform/acetone for development to give the title compound (38 mg, yield 48%). to prepare a solution The reaction solution was concentrated the residue was purified by chromatography on silica gel
Source ID: ord-2fecd9bcb2a74a40815df9f2e677fd47Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Commercially available 2-chloro-1-benzenecarbonyl isothiocyanate (50 μl) was dissolved in ethanol (1 ml) to prepare a solution. 4-[(6,7-Dimethoxy-4-quinolyl)oxy]-2-methylaniline (50 mg), toluene (5 ml), and ethanol (1 ml) were added to the solution, and the mixture was stirred at room temperature for 2 hr. The reaction solution was concentrated, and the residue was purified by chromatography on silica gel using chloroform/acetone for development to give the title compound (47 mg, yield 57%). to prepare a solution The reaction solution was concentrated the residue was purified by chromatography on silica gel
Source ID: ord-9fa74feee3704ab5a11b169171830fa8Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Commercially available 2-chloro-1-benzenecarbonyl isothiocyanate (50 μl) was dissolved in ethanol (1 ml) to prepare a solution. 4-[(6,7-Dimethoxy-4-quinolyl)oxy]-2-methylaniline (50 mg), toluene (5 ml), and ethanol (1 ml) were added to the solution, and the mixture was stirred at room temperature for 2 hr. The reaction solution was concentrated, and the residue was purified by chromatography on silica gel using chloroform/acetone for development to give the title compound (47 mg, yield 57%). to prepare a solution The reaction solution was concentrated the residue was purified by chromatography on silica gel
Source ID: ord-9fa74feee3704ab5a11b169171830fa8Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Commercially available 2-chloro-1-benzenecarbonyl isothiocyanate (50 μl) was dissolved in ethanol (1 ml) to prepare a solution. 4-[(6,7-Dimethoxy-4-quinolyl)oxy]-2,3-dimethylaniline (50 mg), toluene (5 ml), and ethanol (1 ml) were added to the solution, and the mixture was stirred at room temperature for 2 hr. The reaction solution was concentrated, and the residue was purified by chromatography on silica gel using chloroform/acetone for development to give the title compound (68 mg, yield 85%). to prepare a solution The reaction solution was concentrated the residue was purified by chromatography on silica gel
Source ID: ord-dd42078567084c2884e70da2dd8e8c87Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 4-[(6,7-Dimethoxy-4-quinazolinyl)oxy]aniline (50 mg) was dissolved in toluene (5 ml) and ethanol (1 ml) to prepare a solution. Commercially available 2-chloro-1-benzenecarbonyl isothiocyanate (50 μl) was then added to the solution, and the mixture was stirred at room temperature for 2 hr. The reaction solution was concentrated, and the residue was purified by chromatography on silica gel using chloroform/acetone for development to give the title compound (79 mg, yield 95%). The reaction solution was concentrated the residue was purified by chromatography on silica gel
Source ID: ord-2f365a5d91fd4c16a42e0844eb82a16cConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 3-Chloro-4-[(6,7-dimethoxy-4-quinazolinyl)oxy]aniline (50 mg) was dissolved in toluene (5 ml) and ethanol (1 ml) to prepare a solution. Commercially available 2-chloro-1-benzenecarbonyl isothiocyanate (50 μl) was then added to the solution, and the mixture was stirred at room temperature for 2 hr. The reaction solution was concentrated, and the residue was purified by chromatography on silica gel using chloroform/acetone for development to give the title compound (79 mg, yield 90%). The reaction solution was concentrated the residue was purified by chromatography on silica gel
Source ID: ord-8edd5bf404c04ce1a7102494e3187cd6Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 4-[(6,7-Dimethoxy-4-quinolyl)oxy]-3-fluoroaniline (50 mg) was dissolved in toluene (5 ml) and ethanol (1 ml) to prepare a solution. Commercially available 2-chloro-1-benzenecarbonyl isothiocyanate (50 μl) was then added to the solution, and the mixture was stirred at room temperature for 2 hr. The reaction solution was concentrated, and the residue was purified by chromatography on silica gel using chloroform/acetone for development to give the title compound (61 mg, yield 75%). The reaction solution was concentrated the residue was purified by chromatography on silica gel
Source ID: ord-ae47b20784ba43debfb402186062eb58PubChem References
These sources are listed in the compound's public database record.
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