(1S,4S,5S)-4-Bromo-6-oxabicyclo[3.2.1]octan-7-one
- Product Name
- (1S,4S,5S)-4-Bromo-6-oxabicyclo[3.2.1]octan-7-one
- CAS No.
- 139893-81-5
- Chemical Name
- (1S,4S,5S)-4-Bromo-6-oxabicyclo[3.2.1]octan-7-one
- Synonyms
- (1S,4S,5S)-4-bromo-6-oxabicyclo[3.2.1]octan-7-one;Edoxaban Impurity 80;6-Oxabicyclo[3.2.1]octan-7-one, 4-bromo-, (1S-exo)- (9CI);(1S,4S,5S)-4-Bromo-6-oxabicyclo[3.2.1]octan-7-oneQ: What is (1S,4S,5S)-4-Bromo-6-oxabicyclo[3.2.1]octan-7-one Q: What is the CAS Number of (1S,4S,5S)-4-Bromo-6-oxabicyclo[3.2.1]octan-7-one
- CBNumber
- CB35925598
- Molecular Formula
- C7H9BrO2
- Formula Weight
- 205.05
- MOL File
- 139893-81-5.mol
(1S,4S,5S)-4-Bromo-6-oxabicyclo[3.2.1]octan-7-one Property
- Boiling point:
- 324.2±25.0 °C(Predicted)
- Density
- 1.642±0.06 g/cm3(Predicted)
- InChI
- InChI=1/C7H9BrO2/c8-5-2-1-4-3-6(5)10-7(4)9/h4-6H,1-3H2/t4-,5?,6?/s3
- InChIKey
- HIEDNXSBEYNHJB-OGAAFCRYNA-N
- SMILES
- [C@]12([H])CC(OC1=O)C(Br)CC2 |&1:0,r|
(1S,4S,5S)-4-Bromo-6-oxabicyclo[3.2.1]octan-7-one Chemical Properties,Usage,Production
Uses
Used as Edoxaban impurity.
Synthesis
(1S)-Cyclohex-3-ene-1-carboxylic acid (II) (5 g) was dissolved in dichloromethane (25 mL). To this solution, N-bromosuccinimide (1.1 mole) was added at room temperature. In two lots, calcium oxide (0.25 mole) was charged to the Suspension. The reaction mixture was stirred at 20 to 25°C for 1 hour and filtered. The bed was washed with dichloromethane (10 mL). The washings were combined with the filtrate, and the solvent was recovered under vacuum at 35 to 40 °C. Deionized water (50 mL) was charged to the solid, heated to 50 °C, stirred for 10 minutes, and filtered. The bed was washed with deionized water (10 mL) and suction dried. The solid was dried under vacuum at 45-50 °C to get (1S,4S,5S)-4-Bromo-6-oxabicyclo[3.2.1]octan-7-one. Yield: 61%
(1S,4S,5S)-4-Bromo-6-oxabicyclo[3.2.1]octan-7-one Preparation Products And Raw materials
Raw materials
Preparation Products
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