No renderable structure data available
C1CN2CCC1C(C2)SChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | 1-azabicyclo[2.2.2]octane-3-thiol |
|---|---|
| IUPAC Name | — |
| CAS Number | 4595-82-8 |
| Database ID | 14154746 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
1-azabicyclo[2.2.2]octane-3-thiol (CAS 4595-82-8) 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 14154746
Safety Notice
For professional research and industrial use only. Review the supplier safety data sheet before handling.
Synthesis data
11 reactions · 11 references
Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-8a0d37bb226d4c7d823ca386b1264e8dConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-b261a40e9fa24a0ea43efaa18a0b69dcConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-bf98cce32616462aa19a9df85b6bd56eConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-8a0d37bb226d4c7d823ca386b1264e8dConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-8a0d37bb226d4c7d823ca386b1264e8dConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-b261a40e9fa24a0ea43efaa18a0b69dcConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-b261a40e9fa24a0ea43efaa18a0b69dcConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-bf98cce32616462aa19a9df85b6bd56eConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Sodium methylate (0.5 g) is added to a solution of 3-(acetylthio)quinuclidine (14.5 g) in methanol (150 cc). The reaction mixture is then heated under reflux for 1 hour. Sodium methylate (0.5 g) is added again and the mixture is then heated under reflux for 2 hours. The reaction mixture is concentrated to dryness under reduced pressure (2.7 kPa) at 40° C. Distilled water (40 cc) is added to the residue obtained, followed by acetic acid (approximately 1 cc) to obtain a pH in the region of 8. The mixture obtained is extracted with methylene chloride (3×20 cc). The combined organic phases are dried over sodium sulphate, filtered and then concentrated to dryness under reduced pressure (2.7 kPa) at 30° C. The brown oil obtained is distilled under reduced pressure (920 Pa); the fraction distilling at about 94° C. is collected. 3-Mercaptoquinuclidine (2.8 g) is thereby obtained. The reaction mixture is then heated under reflux for 1 hour the mixture is then heated under reflux for 2 hours The reaction mixture is concentrated to dryness under reduced pressure (2.7 kPa) at 40° C Distilled water (40 cc) is added to the residue obtained to obtain a pH in the region of 8 The mixture obtained is extracted with methylene chloride (3×20 cc) The combined organic phases are dried over sodium sulphate filtered concentrated to dryness under reduced pressure (2.7 kPa) at 30° C The brown oil obtained is distilled under reduced pressure (920 Pa) the fraction distilling at about 94° C. is collected
Source ID: ord-79f06c02f01d4cb1a948efdbe09629efConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Sodium methylate (0.5 g) is added to a solution of 3-(acetylthio)quinuclidine (14.5 g) in methanol (150 cc). The reaction mixture is then heated under reflux for 1 hour. Sodium methylate (0.5 g) is added again and the mixture is then heated under reflux for 2 hours. The reaction mixture is concentrated to dryness under reduced pressure (2.7 kPa) at 40° C. Distilled water (40 cc) is added to the residue obtained, followed by acetic acid (approximately 1 cc) to obtain a pH in the region of 8. The mixture obtained is extracted with methylene chloride (3×20 cc). The combined organic phases are dried over sodium sulphate, filtered and then concentrated to dryness under reduced pressure (2.7 kPa) at 30° C. The brown oil obtained is distilled under reduced pressure (920 Pa); the fraction distilling at about 94° C. is collected. 3-Mercaptoquinuclidine (2.8 g) is thereby obtained. The reaction mixture is then heated under reflux for 1 hour the mixture is then heated under reflux for 2 hours The reaction mixture is concentrated to dryness under reduced pressure (2.7 kPa) at 40° C Distilled water (40 cc) is added to the residue obtained to obtain a pH in the region of 8 The mixture obtained is extracted with methylene chloride (3×20 cc) The combined organic phases are dried over sodium sulphate filtered concentrated to dryness under reduced pressure (2.7 kPa) at 30° C The brown oil obtained is distilled under reduced pressure (920 Pa) the fraction distilling at about 94° C. is collected
Source ID: ord-79f06c02f01d4cb1a948efdbe09629efConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Sodium methylate (0.5 g) is added to a solution of 3-(acetylthio)quinuclidine (14.5 g) in methanol (150 cc). The reaction mixture is then heated under reflux for 1 hour. Sodium methylate (0.5 g) is added again and the mixture is then heated under reflux for 2 hours. The reaction mixture is concentrated to dryness under reduced pressure (2.7 kPa) at 40° C. Distilled water (40 cc) is added to the residue obtained, followed by acetic acid (approximately 1 cc) to obtain a pH in the region of 8. The mixture obtained is extracted with methylene chloride (3×20 cc). The combined organic phases are dried over sodium sulphate, filtered and then concentrated to dryness under reduced pressure (2.7 kPa) at 30° C. The brown oil obtained is distilled under reduced pressure (920 Pa); the fraction distilling at about 94° C. is collected. 3-Mercaptoquinuclidine (2.8 g) is thereby obtained. The reaction mixture is then heated under reflux for 1 hour the mixture is then heated under reflux for 2 hours The reaction mixture is concentrated to dryness under reduced pressure (2.7 kPa) at 40° C Distilled water (40 cc) is added to the residue obtained to obtain a pH in the region of 8 The mixture obtained is extracted with methylene chloride (3×20 cc) The combined organic phases are dried over sodium sulphate filtered concentrated to dryness under reduced pressure (2.7 kPa) at 30° C The brown oil obtained is distilled under reduced pressure (920 Pa) the fraction distilling at about 94° C. is collected
Source ID: ord-79f06c02f01d4cb1a948efdbe09629efPubChem References
These sources are listed in the compound's public database record.
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