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C(CN=C=O)CClChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | 1-chloro-3-isocyanatopropane |
|---|---|
| IUPAC Name | — |
| CAS Number | 13010-19-0 |
| Database ID | 166752 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
1-chloro-3-isocyanatopropane (CAS 13010-19-0) 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 166752
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-758cd7710c974c38a06a5e7a19cfc95eConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-83d7a1162cf24e96a3dff5fbb4f46c7eConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-42770a9fa3b943fb90a0d9f94644605aConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-10852b6658f34ef189ace45dddb02d0eConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-1671f529709e4bfeac9acb75958d1aa8Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-f15150680ffc420994db5df42ce60df4Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-5d018c778a6d4176943c6d4040f6be80Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-758cd7710c974c38a06a5e7a19cfc95eConditions: temp:55.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Sodium hydride (0.00150 mol), ACN (5 ml), compound (1) (0.00135 mol) in 1,4-dioxane (10 ml), and ACN (10 ml) were combined under argon. The solution was stirred for 1 hour. 1-chloro-3-isocyanato-propane (0.00137 mol) was added. The reaction mixture was stirred for 1 hour. 1-methyl-pyrrolidinone (10 ml) was added. The reaction mixture was stirred for 16 hours. Then, the mixture was concentrated. The concentrate was partitioned between DCM/H2O. The resulting solution was filtered, dried over K2CO3, filtered, concentrated and the residue was treated with NH3 in 1,4-dioxane (12 ml, 0.5 M) and heated under pressure at 55° C. The resulting solution was concentrated and further purified by flash column chromatography (eluent: DCM/CH3OH 95/5). The pure fractions were collected and the solvent was evaporated, yielding 0.12 g (18.9%) of N-[3-[[4-[(4-cyanophenyl)amino]-6-[(2,6-dichlorophenyl)methyl]-1,3,5-triazin-2-yl]amino]propyl]urea (compound 23). The reaction mixture was stirred for 1 hour The reaction mixture was stirred for 16 hours Then, the mixture was concentrated The concentrate was partitioned between DCM/H2O The resulting solution was filtered dried over K2CO3 filtered concentrated the residue was treated with NH3 in 1,4-dioxane (12 ml, 0.5 M) The resulting solution was concentrated further purified by flash column chromatography (eluent: DCM/CH3OH 95/5) The pure fractions were collected the solvent was evaporated
Source ID: ord-57b54ad0456544d6b17baa7f1322d77bConditions: temp:55.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Sodium hydride (0.00150 mol), ACN (5 ml), compound (1) (0.00135 mol) in 1,4-dioxane (10 ml), and ACN (10 ml) were combined under argon. The solution was stirred for 1 hour. 1-chloro-3-isocyanato-propane (0.00137 mol) was added. The reaction mixture was stirred for 1 hour. 1-methyl-pyrrolidinone (10 ml) was added. The reaction mixture was stirred for 16 hours. Then, the mixture was concentrated. The concentrate was partitioned between DCM/H2O. The resulting solution was filtered, dried over K2CO3, filtered, concentrated and the residue was treated with NH3 in 1,4-dioxane (12 ml, 0.5 M) and heated under pressure at 55° C. The resulting solution was concentrated and further purified by flash column chromatography (eluent: DCM/CH3OH 95/5). The pure fractions were collected and the solvent was evaporated, yielding 0.12 g (18.9%) of N-[3-[[4-[(4-cyanophenyl)amino]-6-[(2,6-dichlorophenyl)methyl]-1,3,5-triazin-2-yl]amino]propyl]urea (compound 23). The reaction mixture was stirred for 1 hour The reaction mixture was stirred for 16 hours Then, the mixture was concentrated The concentrate was partitioned between DCM/H2O The resulting solution was filtered dried over K2CO3 filtered concentrated the residue was treated with NH3 in 1,4-dioxane (12 ml, 0.5 M) The resulting solution was concentrated further purified by flash column chromatography (eluent: DCM/CH3OH 95/5) The pure fractions were collected the solvent was evaporated
Source ID: ord-57b54ad0456544d6b17baa7f1322d77bConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 11.3 gm (38.5 millimols) of N-(p-amino-phenethyl)-N'-(m-tolyl)-piperazine, 4.6 gm (38.5 millimols) of 3-chloropropyl-isocyanate and 120 ml of toluene were admixed with each other, accompanied by gentle agitation, and the mixture was allowed to react for two hours and was then vacuum-filtered, yielding as the filter cake 90% of theory of N-[p-(3-chloropropyl-ureido)-phenethyl]-N'-(m-tolyl)-piperazine, m.p. 168°C. to react for two hours was then vacuum-filtered
Source ID: ord-18d650acdec046b49f93ec39a7204bb7Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 11.3 gm (38.5 millimols) of N-(p-amino-phenethyl)-N'-(m-tolyl)-piperazine, 4.6 gm (38.5 millimols) of 3-chloropropyl-isocyanate and 120 ml of toluene were admixed with each other, accompanied by gentle agitation, and the mixture was allowed to react for two hours and was then vacuum-filtered, yielding as the filter cake 90% of theory of N-[p-(3-chloropropyl-ureido)-phenethyl]-N'-(m-tolyl)-piperazine, m.p. 168°C. to react for two hours was then vacuum-filtered
Source ID: ord-18d650acdec046b49f93ec39a7204bb7PubChem References
These sources are listed in the compound's public database record.
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