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(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 structure

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

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(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%

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

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

Raw materials

Preparation Products

tert-butyl (1R,2S,5S)-2-aMino-5-(diMethylcarbaMoyl)cyclohexylcarbaMate Edoxaban Impurity 16 3-Cyclohexene-1-carboxylic acid, (1S)-, compd. with (αR)-α-methylbenzenemethanamine (1:1)

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

Global( 21)Suppliers

Supplier	Tel	Email	Country	ProdList	Advantage
Changzhou Guiding Bio-Tech. Co.,Ltd.	+86-519-519-86686860 +8618795626222	ning@guiding-bio.com	China	299	58
Eaglech（shanghai）Pharmaceutical Co., Ltd	+8613884467586	info@distant-chem.com	China	10	58
China National Standard Pharmaceutical Corporation Limited	+8615391658522	overseasales@yongstandards.com	China	11927	58
Shandong Hanjiang Chemical Co., Ltd	+86-0533-2066820 +8618369939125	hanson@sdhanjiang.com	China	1527	58
Shanghai Kewel Chemical Co., Ltd.	021-64609169 18901607656	greensnown@163.com	China	9911	50
Anqing CHICO Pharmaceutical Co., Ltd.	13585175604 13585175604	sales@chicopharm.com	China	496	65
Shanghai Chaolan Chemical Technology Center	QQ:65489617 15618227136	info@SuperLan-chem.com	China	9440	58
Henan Alfachem Co.,Ltd.	0371-0371-55051623 18137891487	2853979817@qq.com	China	9960	58
Wuhan Dingxintong Pharmaceutical Co. , Ltd.	027-027-52344656 15871722230	15871722230@163.com	China	3011	58
QUALITY CONTROL SOLUTIONS LTD.	0755-66853366 13670046396	orders@qcsrm.com	China	18810	58

Supplier	Advantage
Changzhou Guiding Bio-Tech. Co.,Ltd.	58
Eaglech（shanghai）Pharmaceutical Co., Ltd	58
China National Standard Pharmaceutical Corporation Limited	58
Shandong Hanjiang Chemical Co., Ltd	58
Shanghai Kewel Chemical Co., Ltd.	50
Anqing CHICO Pharmaceutical Co., Ltd.	65
Shanghai Chaolan Chemical Technology Center	58
Henan Alfachem Co.,Ltd.	58
Wuhan Dingxintong Pharmaceutical Co. , Ltd.	58
QUALITY CONTROL SOLUTIONS LTD.	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