Reaction #4159162
Related Literature (1)
openreactiondata ↗doi:10.1039/C8SC04228D
Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-c8979d656209483cbeada685e55c6712No renderable structure data available
C1CC(CCC1O)OChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | cyclohexane-1,4-diol |
|---|---|
| IUPAC Name | — |
| CAS Number | 6995-79-5 |
| Database ID | 11162 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
cyclohexane-1,4-diol (CAS 6995-79-5) 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 11162
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-c8979d656209483cbeada685e55c6712Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-ab9c4c3f0970475faad1be07b7b2325bConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-44d94fe1b611495294e67e3589e3426eConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-f1fbd6e443d943fdac4496cdfa5f25c4Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-f168eb04996441fd9acaa2747e8f00d0Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Prepared analogously to III.1 from 3.6 g 2-fluoro-3-nitropyridine and 2.9 g 1,4-cyclohexanediol
Source ID: ord-fc86a9c8276d48c08f4fe85472232e2dConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Prepared analogously to III.1 from 3.6 g 2-fluoro-3-nitropyridine and 2.9 g 1,4-cyclohexanediol.
Source ID: ord-a52b6705ce4149a79170a6964bc0bc8aConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a stirred mixture of 46.46 parts of 1,4-cyclohexanediol and 135 parts of N,N-dimethylformamide were added 5.28 parts of sodium hydride dispersion 50% at a temperature below 20° C. Stirring was continued for 2 hours at room temperature under nitrogen atmosphere. Then there were added dropwise 15.9 parts of 1,4-difluoro-2-nitrobenzene at about 20° C. Upon completion, stirring was continued overnight at room temperature. The reaction mixture was poured onto water. The precipitated product was filtered off and taken up in trichloromethane. The solution was washed with water, dried, filtered and evaporated. The residue was boiled in 2-propanol. Upon cooling, the precipitate was filtered off and the filtrate was evaporated. The residue was purified by column-chromatography over silica gel using a mixture of trichloromethane and methanol (95:5 by volume) as eluent. The pure fractions were collected and the eluent was evaporated. The residue was stirred in petroleumether. The product was filtered off and dried, yielding 17.1 parts of 4-(4-fluoro-2-nitrophenoxy)cyclohexanol; mp. 150.8° C. (intermediate 85). Upon completion, stirring was continued overnight at room temperature The reaction mixture was poured onto water The precipitated product was filtered off The solution was washed with water dried filtered evaporated Upon cooling the precipitate was filtered off the filtrate was evaporated The residue was purified by column-chromatography over silica gel using a mixture of trichloromethane and methanol (95:5 by volume) as eluent The pure fractions were collected the eluent was evaporated The residue was stirred in petroleumether The product was filtered off dried
Source ID: ord-cda535e558c14d91881ce6da9ba147d0Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-c8979d656209483cbeada685e55c6712Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a stirred mixture of 46.46 parts of 1,4-cyclohexanediol and 135 parts of N,N-dimethylformamide were added 5.28 parts of sodium hydride dispersion 50% at a temperature below 20° C. Stirring was continued for 2 hours at room temperature under nitrogen atmosphere. Then there were added dropwise 15.9 parts of 1,4-di-fluoro-2-nitrobenzene at about 20° C. Upon completion, stirring was continued overnight at room temperature. The reaction mixture was poured onto water. The precipitated product was filtered off and taken up in trichloromethane. The solution was washed with water, dried, filtered and evaporated. The residue was boiled in 2-propanol. Upon cooling, the precipitate was filtered off and the filtrate was evaporated. The residue was purified by column-chromatography over silica gel using a mixture of trichloromethane and methanol (95:5 by volume) as eluent. The pure fractions were collected and the eluent was evaporated. The residue was stirred in petroleumether. The product was filtered off and dried, yielding 17.1 parts of 4-(4-fluoro-2-nitrophenoxy)cyclohexanol; mp. 150.8° C. (intermediate 85). Upon completion, stirring was continued overnight at room temperature The reaction mixture was poured onto water The precipitated product was filtered off The solution was washed with water dried filtered evaporated Upon cooling the precipitate was filtered off the filtrate was evaporated The residue was purified by column-chromatography over silica gel using a mixture of trichloromethane and methanol (95:5 by volume) as eluent The pure fractions were collected the eluent was evaporated The residue was stirred in petroleumether The product was filtered off dried
Source ID: ord-2b6fba04e5db4c0891e88759cb1ea670Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of 1,4-cyclohexanediol (5 g, 43 mmol), imidazole (2.92 g, 43 mmol) and NEt3 (7 mL) in CH2Cl2 (100 mL) cooled in an ice bath was added tert-butyldimethylsilyl chloride (6.47 g, 43 mmol). The mixture was stirred at room temperature overnight. Water was added and the organic phase was separated. The aqueous layer was extracted with EtOAc. The combined organic phase was dried over MgSO4 and concentrated. Chromatography on silica gel eluting with 3:1 EtOAc/hexanes provided the title compound (4.2 g, 42%) as an oil. MS calculated (M+H)+ 231, found 231. the organic phase was separated The aqueous layer was extracted with EtOAc The combined organic phase was dried over MgSO4 concentrated
Source ID: ord-641883d1c79e41cca71d57f46bfb14edConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of 1,4-cyclohexanediol (5 g, 43 mmol), imidazole (2.92 g, 43 mmol) and NEt3 (7 mL) in CH2Cl2 (100 mL) cooled in an ice bath was added tert-butyldimethylsilyl chloride (6.47 g, 43 mmol). The mixture was stirred at room temperature overnight. Water was added and the organic phase was separated. The aqueous layer was extracted with EtOAc. The combined organic phase was dried over MgSO4 and concentrated. Chromatography on silica gel eluting with 3:1 EtOAc/hexanes provided the title compound (4.2 g, 42%) as an oil. MS calculated (M+H)+ 231, found 231. the organic phase was separated The aqueous layer was extracted with EtOAc The combined organic phase was dried over MgSO4 concentrated
Source ID: ord-641883d1c79e41cca71d57f46bfb14edPubChem References
These sources are listed in the compound's public database record.
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