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ChemicalBook >> CAS DataBase List >>(1S,4S,5S)-4-Bromo-6-oxabicyclo[3.2.1]octan-7-one

(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
Molecular Weight:
205.05
MDL Number:
MOL File:
139893-81-5.mol
Last updated:2023-12-13 13:10:17

(1S,4S,5S)-4-Bromo-6-oxabicyclo[3.2.1]octan-7-one Properties

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,Uses,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%

5708-19-0
139893-81-5
Synthesis of (1S,4S,5S)-4-Bromo-6-oxabicyclo[3.2.1]octan-7-one from (S)-(-)-3-CYCLOHEXENECARBOXYLIC ACID

(1S,4S,5S)-4-Bromo-6-oxabicyclo[3.2.1]octan-7-one Preparation Products And Raw materials

(1S,4S,5S)-4-Bromo-6-oxabicyclo[3.2.1]octan-7-one Suppliers

Global( 27)Suppliers
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Changzhou Guiding Bio-Tech. Co.,Ltd.
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Shanghai Chaolan Chemical Technology Center QQ:65489617 15618227136 info@SuperLan-chem.com China 6521 58
SHANGHAI FDC-CHEMICAL CO.,LTD 021-61469567 13482353728 sales@fdc-chemical.com China 16292 58
6-Oxabicyclo[3.2.1]octan-7-one, 4-bromo-, (1S-exo)- (9CI) Edoxaban Impurity 80 (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 (1S,4S,5S)-4-bromo-6-oxabicyclo[3.2.1]octan-7-one 139893-81-5