Reaction #4062606
Related Literature (1)
openreactiondata ↗doi:10.1039/C8SC04228D
Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-df787de91a9c4ca2be9a22ea7bd9b040No renderable structure data available
CC(C)(C)OC(=O)NC1CCC=CC1Chemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | tert-butyl N-cyclohex-3-en-1-ylcarbamate |
|---|---|
| IUPAC Name | — |
| CAS Number | 1350636-87-1 |
| Database ID | 11063381 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
tert-butyl N-cyclohex-3-en-1-ylcarbamate (CAS 1350636-87-1) 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 11063381
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-df787de91a9c4ca2be9a22ea7bd9b040Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-1f20d68f318d43a6995fb6166b44a561Conditions: temp:90.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 3-Cyclohexene-1-carboxylic acid (25.3 g) was dissolved in tert-butanol (250 ml), triethylamine (28 ml) and diphenylphosphorylazide (43.0 ml) were added, and the mixture was stirred for 1 hour at room temperature and 2 days at 90° C. The solvent was distilled off under reduced pressure, and the residue was purified by column chromatography on silica gel (methylene chloride) and then repurified by column chromatography on silica gel (hexane:ethyl acetate=20:1) to obtain the title compound (24.9 g). The solvent was distilled off under reduced pressure the residue was purified by column chromatography on silica gel (methylene chloride) repurified by column chromatography on silica gel (hexane:ethyl acetate=20:1)
Source ID: ord-e94fb2062ed34f5197512518284b633eConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Cyclohex-3-enyl-carbamic acid tert-butyl ester (Kampferer, P.; Vasella, A. Helvetica Chimica Acta 2004, 87, 2764-2789) (3 g, 15.2 mmol) and 2-bromoethyl methyl ether (1.43 ml, 15.2 mmol) were treated overnight to the method of Example 7 Step A. After work up and chromatography of the reaction mixture (silica, cyclohexane/ethyl acetate=7/1) the title compound (Rf=0.33, 1.2 g, 31% yield) was obtained as colorless solid.
Source ID: ord-4a542baa87a74b979387f39461f052cdConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Cyclohex-3-enyl-carbamic acid tert-butyl ester (Kampferer, P.; Vasella, A. Helvetica Chimica Acta 2004, 87, 2764-2789) (3 g, 15.2 mmol) and allyl iodide (1.4 ml, 15.2 mmol) were treated overnight according to the method of Example 7 Step A. After work up and chromatography of the reaction mixture (silica, cyclohexane/ethyl acetate=10/1) the title compound (Rf=0.55, 2.0 g, 55% yield) was obtained as colorless solid.
Source ID: ord-52e952ed0aad43a1a341a3193647a1f5Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Cyclohex-3-enyl-carbamic acid tert-butyl ester (Kampferer, P.; Vasella, A. Helvetica Chimica Acta 2004, 87, 2764-2789) (3 g, 15.2 mmol) and allyl iodide (1.4 ml, 15.2 mmol) were treated overnight according to the method of Example 7 Step A. After work up and chromatography of the reaction mixture (silica, cyclohexane/ethyl acetate=10/1) the title compound (Rf=0.55, 2.0 g, 55% yield) was obtained as colorless solid.
Source ID: ord-52e952ed0aad43a1a341a3193647a1f5Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Cyclohex-3-enyl-carbamic acid tert-butyl ester (Kampferer, P.; Vasella, A. Helvetica Chimica Acta 2004, 87, 2764-2789) (3 g, 15.2 mmol) and methyl iodide (0.95 ml, 15.2 mmol) were treated for 1 hour according to the method of Example 7 Step A. After work up and chromatography of the reaction mixture (silica, cyclohexane/ethyl acetate=10/1) the title compound (Rf=0.22, 2.04 g, 64% yield) was obtained as colorless solid.
Source ID: ord-724d3637899840eb9f4400cc86af2a99Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of cyclohex-3-enyl-carbamic acid tert-butyl ester (Kampferer, P.; Vasella, A. Helvetica Chimica Acta 2004, 87, 2764-2789) (4.34 g, 22 mmol) in 20 ml of DMSO was added sodium hydride (880 mg, 60% dispersion, 22 mmol) and after one hour of stirring ethyl iodide (1.78 ml, 22 mmol). After further stirring for 2 hours at room temperature the reaction mixture was concentrated under reduced pressure. The residue was diluted with water and brine and extracted three times with ethyl acetate. The organic layers were dried over sodium sulfate and filtered. The filtrate was concentrated under reduced pressure and after chromatography (silica, cyclohexane/ethyl acetate=12/1) the title compound (Rf=0.30, 2.88 g, 58% yield) was obtained as colorless solid. was concentrated under reduced pressure The residue was diluted with water and brine extracted three times with ethyl acetate The organic layers were dried over sodium sulfate filtered The filtrate was concentrated under reduced pressure
Source ID: ord-2e0d7b6bc0bd4c45b9facaae5b8bb593Conditions: temp:90.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 3-Cyclohexene-1-carboxylic acid (25.3 g) was dissolved in tert-butanol (250 ml), triethylamine (28 ml) and diphenylphosphorylazide (43.0 ml) were added, and the mixture was stirred for 1 hour at room temperature and 2 days at 90° C. The solvent was distilled off under reduced pressure, and the residue was purified by column chromatography on silica gel (dichloromethane) and then repurified by column chromatography on silica gel (hexane:ethyl acetate=20:1) to obtain the title compound (24.9 g) as colorless crystals. The solvent was distilled off under reduced pressure the residue was purified by column chromatography on silica gel (dichloromethane) repurified by column chromatography on silica gel (hexane:ethyl acetate=20:1)
Source ID: ord-adea5090999a4bec94b7ba9f66e81aafConditions: temp:90.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 3-Cyclohexene-1-carboxylic acid (25.3 g) was dissolved in tert-butanol (250 ml), triethylamine (28 ml) and diphenylphosphorylazide (43.0 ml) were added, and the mixture was stirred for 1 hour at room temperature and 2 days at 90° C. The solvent was distilled off under reduced pressure, and the residue was purified by column chromatography on silica gel (dichloromethane) and then repurified by column chromatography on silica gel (hexane:ethyl acetate=20:1) to obtain the title compound (24.9 g) as colorless crystals. The solvent was distilled off under reduced pressure the residue was purified by column chromatography on silica gel (dichloromethane) repurified by column chromatography on silica gel (hexane:ethyl acetate=20:1)
Source ID: ord-3b45d73126e84f98b495975b9943f3b2Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-df787de91a9c4ca2be9a22ea7bd9b040Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 3-Cyclohexene-1-carboxylic acid (25.3 g) was dissolved in tert-butanol (250 mL), and to the solution were added triethylamine (28 mL) and diphenylphosphoryl azide (43.0 mL), followed by stirring at room temperature for 1 hour, and then at 90° C. for 2 days. The solvent was distilled away under reduced pressure, and the residue was purified by silica gel column chromatography (methylene chloride). The purified product was further purified by silica gel column chromatography (hexane:ethyl acetate=20:1) to thereby give the title compound (24.9 g). at 90° C. for 2 days The solvent was distilled away under reduced pressure the residue was purified by silica gel column chromatography (methylene chloride) The purified product was further purified by silica gel column chromatography (hexane:ethyl acetate=20:1)
Source ID: ord-51145d56c27c40109465b1f0fb4f4a00PubChem References
These sources are listed in the compound's public database record.
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