365998-36-3

365998-36-3 - Names and Identifiers

Name	(5H-Pyrrolo[3,4-d]thiazole-5-carboxylic acid,2-[[[(1R,2S,5S)-2-[[(5-chloro-1H-indol-2-yl)carbonyl]aMino]-5-[(diMethylaMino)carbonyl]cyclohexyl]aMino]carbonyl]-4,6-dihydro-,1,1-diMethylethyl ester
Synonyms	InterMediateofEdoxaban EdoxabanINTERMEDIATESⅠ EdoxabanINTERMEDIATESⅡ EthanediaMideiMpurityA EdoxabanINTERMEDIATESⅢ tert-Butyl[(1R,2S,5S)-2-amino-5-[(dimethylamino)carbonyl]cyclohexyl]carbamate CarbaMicacid,N-[(1R,2S,5S)-2-aMino-5-[(diMethylaMino)carbonyl]cyclohexyl]-,1,1-diMethylethylester (5H-Pyrrolo[3,4-d]thiazole-5-carboxylicacid,2-[[[(1R,2S,5S)-2-[[(5-chloro-1H-indol-2-yl)carbonyl]aMino]-5-[(diMethylaMino)carbonyl]cyclohexyl]aMino]carbonyl]-4,6-dihydro-,1,1-diMethylethylester (5H-Pyrrolo[3,4-d]thiazole-5-carboxylic acid,2-[[[(1R,2S,5S)-2-[[(5-chloro-1H-indol-2-yl)carbonyl]aMino]-5-[(diMethylaMino)carbonyl]cyclohexyl]aMino]carbonyl]-4,6-dihydro-,1,1-diMethylethyl ester
CAS	365998-36-3
EINECS	1592732-453-0

365998-36-3 - Physico-chemical Properties

Molecular Formula	C14H27N3O3
Molar Mass	285.38248
Density	1.09±0.1 g/cm3(Predicted)
Boling Point	434.4±45.0 °C(Predicted)
Storage Condition	2-8℃
Physical and Chemical Properties	Storage: Keep in dark place,Sealed in dry,2-8°C. Acidity coefficient: 11.90±0.60(Predicted)
Use	Edoxaban intermediate is an organic synthesis intermediate and pharmaceutical intermediate, which can be used in laboratory research and development process and chemical and pharmaceutical synthesis process, mainly as a synthetic intermediate of the raw material drug edoxaban.

365998-36-3 - Introduction

(5H-Pyrrolo[3,4-d]thiazole-5-carboxylic acid,2-[[[(1R,2S,5S)-2-[[(5-chloro-1H-indol-2-yl)carbonyl]aMino]-5-[(diMethylaMino)carbonyl]cyclohexyl]aMino]carbonyl]-4,6-dihydro-,1,1-diMethylethyl ester(5H-Pyrrolo[3,4-d]thiazole-5-carboxylic acid,2-[[[(1R,2S,5S)-2-[[(5-chloro-1H-indol-2-yl)carbonyl]amin
o]-5-[(dimethylamino)carbonyl]cyclohexyl]amino]carbonyl]-4,6-dihydro-, 1,1-dimethylethyyl ester), whose nature, purpose, preparation method and safety information are as follows:

Nature:
-Chemical formula: C30H35ClN6O5S
-Molecular Weight: 633.16
-Appearance: solid powder, colorless or light yellow
-melting point: about 140-150 ℃
-Solubility: Soluble in organic solvents such as dimethyl sulfoxide (DMSO) and dichloromethane (DCM)

Use:
- (5H-Pyrrolo[3,4-d]thiazole-5-carboxylic acid,2-[[(1R,2S,5S)-2-[[(5-chroo-1H-indol-2-yl) carbonyl]aMino]-5-[(diMethylaMino)carbonyl]cyclohexyl]aMino]carbonyl]-4,6-dihydro-,1, 1-dimethylether is a compound used for the synthesis of drug ester, commonly used in the synthesis of edoxaban and its related compounds.

Preparation Method:
(5H-Pyrrolo[3,4-d]thiazole-5-carboxylic acid,2-[[(1R,2S,5S)-2-[[(5-cholo-1H-indol-2-yl) carbonyl]aMino]-5-[(diMethylaMino)carbonyl]cyclohexyl]aMino]carbonyl]-4,6-dihydro-,1,1-dimethylethyester is more complicated in preparation method, here is a general synthetic route (for reference only):
1. First, 5H-Pyrrolo[3,4-d]thiazole-5-carboxylic acid is reacted with an appropriate activator (such as DCC or EDC) to generate an activated ester.
2. the activated ester is reacted with (1R,2S,5S)-2-[[(5-chroo-1H-indol-2-yl) carbonyl]amino]-5-[(dimethylamino)carbonyl]cyclohexyl]amine under alkaline conditions to generate the intermediate compound.
3. finally, 1,1-dimethylethyyl ester group was introduced into the intermediate compound through esterification reaction to prepare (5H-Pyrrolo[3,4-d]thiazole-5-carboxylic acid,2-[[[(1R,2S)-2-[[(5-5S) carbonyl]aMino]-5-[(diMethylaMino) didro] carbonyl]cyclohexyl], 1-diMethylethyl ester.

Safety Information:
(5H-Pyrrolo[3,4-d]thiazole-5-carboxylic acid,2-[[(1R,2S,5S)-2-[[(5-cholo-1H-indol-2-yl) carbonyl]aMino]-5-[(diMethylaMino)carbonyl]cyclohexyl]aMino]carbonyl]-4,6-dihydro-,1,1-diMethyl ester. Appropriate safety measures should be taken during laboratory operations, such as wearing protective glasses, breathing apparatus and protective gloves. At the same time, the correct storage, handling and disposal of chemicals should be followed to avoid contact with skin, eyes or inhalation. If you have any safety questions or concerns, please consult the relevant professional or refer to the safety data sheet (SDS) of the chemical for further information.

Last Update：2024-04-09 21:11:58