177793-81-6

Basic information

• Product Name: N-(1-azabicyalo[2,2,2]oct-3S-yl)-1,2,3,4-tetrahydronaphthalen-1S-ylcarboxamine
• Synonyms: N-(1-azabicyalo[2,2,2]oct-3S-yl)-1,2,3,4-tetrahydronaphthalen-1S-ylcarboxamine;N-1-Azabicyclo[2.2.2]oct-3-yl-1,2,3,4-tetrahydro-1-naphthalenecarboxamide;Palonosetron interMediater G;N-1-Azabicyclo[2.2.2]oct-3S-yl-1,2,3,4-tetrahydro-1S-naphthalenecarboxaMide;N-1-azabicyclo[2.2.2]oct-3-yl-1,2,3,4-tetrahydro-1-Naphthaleneca;-1,2,3,4-tetrahydronaphthalene-1-carboxamide;N-(Quinuclidin-3-yl);N-(Quinuclidin-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
• CAS NO: 177793-81-6
• Molecular Formula: C18H24N2O
• Molecular Weight: 284.401
• Mol File: 177793-81-6.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 495.26 °C at 760 mmHg
• Flash Point: 253.324 °C
• Appearance: /
• Density: 1.17±0.1 g/cm3 (20 ºC 760 Torr)
• Storage Temp.: 2-8°C
• PKA: 14.98±0.20(Predicted)
• CAS DataBase Reference: N-(1-azabicyalo[2,2,2]oct-3S-yl)-1,2,3,4-tetrahydronaphthalen-1S-ylcarboxamine(CAS DataBase Reference)
• NIST Chemistry Reference: N-(1-azabicyalo[2,2,2]oct-3S-yl)-1,2,3,4-tetrahydronaphthalen-1S-ylcarboxamine(177793-81-6)
• EPA Substance Registry System: N-(1-azabicyalo[2,2,2]oct-3S-yl)-1,2,3,4-tetrahydronaphthalen-1S-ylcarboxamine(177793-81-6)

Safety Data

• Hazardous Substances Data: 177793-81-6(Hazardous Substances Data)

Usage

General Description

N-(1-azabicyclo[2,2,2]oct-3-yl)-1,2,3,4-tetrahydronaphthalen-1-ylcarboxamine is a chemical compound with a complex structure that combines an azabicyclo compound with a tetrahydronaphthalene and a carboxamine group. N-(1-azabicyalo[2,2,2]oct-3S-yl)-1,2,3,4-tetrahydronaphthalen-1S-ylcarboxamine likely has pharmacological potential due to its structural similarity to neurotransmitters and other biologically active compounds. The azabicyclo ring may confer some degree of conformational flexibility and may potentially interact with biological targets. The tetrahydronaphthalene moiety is a common component in many drugs and bioactive molecules, and the carboxamine group may contribute to the compound's solubility and ability to interact with target proteins. Further research is needed to fully understand the properties and potential applications of this compound.

Upstream product

• 1914-65-4 tetralin-1-carboxylic acid 
• 120570-05-0 (S)-3-aminoquinuclidine 
• 85977-52-2 (S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid 
• 6530-09-2 (S)-1-azabicyclo[2.2.2]oct-3-ylamine dihydrochloride 
• 50341-99-6 1,2,3,4-tetrahydronaphthalene-1-carbonyl chloride 

Downstream Products

• 135729-60-1 palonosetron 
• 177793-80-5 C₁₈H₂₆N₂ 
• 135755-51-0 palonosetron hydrochloride 
• 177793-80-5 (1-azabicyclo[2.2.2]oct-3-yl)-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amine 

Relevant articles and documents

Method for the preparation of high purity Palonosetron intermediates

The present invention relates to a method for manufacturing a high purity palonosetron intermediate compound represented by chemical formula 1. The present invention provides a method for manufacturing N-(1-azabicyclo[2.2.2]oct-3S-yl)-1,2,3,4-tetrahydronaphthalen-1-ylcarboxamide, represented by chemical formula 1 with a high purity by conducting a reaction with a compound of chemical formula 2, which is a racemic mixture, under conditions of an inorganic base and a mixed solvent.COPYRIGHT KIPO 2020

Hydrochloric acid palonosetron and intermediate preparation method (by machine translation)

The invention discloses hydrochloric acid palonosetron and intermediate preparation method. The invention provides a preparation method of palonosetron intermediate I, comprises the following steps: in the organic solvent, the presence of a reducing agent, the compound III with the S - 3 - amino quinine cyclic amine reaction of intermediate I Sparrow division of the agar. The invention palonosetron preparation method of the midbody mild reaction conditions, post-processing step is simple, safe operation, the total yield is high, the prepared product has high purity, low production cost, the atom utilization rate is high, and is suitable for industrial production; and palonosetron intermediates of the present invention can be prepared in accordance with the raw materials of the standard of the hydrochloric acid palonosetron. (by machine translation)

A hydrochloric acid palonosetron production method

The invention belongs to the field of organic synthesis, and particularly relates to a production method of high-purity and high-yield palonosetron hydrochloride. Chiral compounds, namely, (S)-(-)-1,2,3,4-tetrahedro-naphthoic acid and S-3-aminoquinuclidine, are taken as raw materials, and an intermediate is obtained; the intermediate has a reduction reaction in the presence of NaBH4 and BF3*CH3OH, a product is added to a hydrochloric acid aqueous solution for a reflux reaction after the reaction, and a transparent oily substance is obtained through extraction after the reflux reaction; toluene is added to the substance, a toluene solution of triphosgene is dropwise added again at the temperature ranging from 10 DEG C to 15 DEG C, white solids are separated out, a reaction is performed under the condition of heating reflux, and the toluene solution of the triphosgene is dropwise added again under the reflux condition; then a system is cooled to the temperature ranging from 10 DEG C to 15 DEG C, BF3*CH3OH is added, the system is added to water and the hydrochloric acid aqueous solution at the reflux temperature after addition, then a reflux reaction is performed at the heating reflux temperature, and then a crude product is obtained through washing, extraction and crystallization; the crude product is dissolved in acetone, repeated crystallization is performed after dissolution, and the refined palonosetron hydrochloride is obtained. Steps are simple and convenient, reaction conditions are mild, and the production method is easy to operate and suitable for industrial production.