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9-Benzyl-9-azabicyclo[3.3.1]nonan-3-one is a bicyclic chemical compound characterized by a nine-membered ring system with a ketone functional group and a benzyl group attached to one of the carbon atoms. Its unique structure and reactivity make it a versatile building block in the synthesis of pharmaceuticals and organic compounds. It also holds potential in medicinal chemistry and drug discovery due to its structural and pharmacological properties.

81879-64-3

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81879-64-3 Usage

Uses

Used in Pharmaceutical Synthesis:
9-Benzyl-9-azabicyclo[3.3.1]nonan-3-one is used as a key intermediate in the synthesis of various pharmaceuticals and organic compounds. Its unique structure and reactivity allow for the creation of diverse molecules with potential therapeutic applications.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, 9-benzyl-9-azabicyclo[3.3.1]nonan-3-one is utilized as a structural component in the design and development of new drugs. Its pharmacological properties may contribute to the discovery of novel therapeutic agents with improved efficacy and selectivity.
Used in Drug Discovery:
9-Benzyl-9-azabicyclo[3.3.1]nonan-3-one plays a role in drug discovery, where its unique structural features and reactivity are leveraged to identify and optimize potential drug candidates. Its incorporation into compound libraries can facilitate the exploration of new chemical space and the development of innovative therapeutic agents.

Check Digit Verification of cas no

The CAS Registry Mumber 81879-64-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,1,8,7 and 9 respectively; the second part has 2 digits, 6 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 81879-64:
(7*8)+(6*1)+(5*8)+(4*7)+(3*9)+(2*6)+(1*4)=173
173 % 10 = 3
So 81879-64-3 is a valid CAS Registry Number.

81879-64-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-benzyl-3-azabicyclo[3.3.1]nonan-9-one

1.2 Other means of identification

Product number -
Other names 3-Azabicyclo[3.3.1]nonan-9-one,3-(phenylmethyl)

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:81879-64-3 SDS

81879-64-3Relevant academic research and scientific papers

Preparation method of levo-demethyl benzene ring nonyl ester hydrochloride

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Paragraph 0067; 0072; 0073, (2020/09/09)

The invention belongs to the technical field of medicine preparation, and discloses a preparation method of levo-demethylated benzene ring nonyl ester hydrochloride, the molecular formula of the levo-demethylated benzene ring nonyl ester hydrochloride is shown as (1), the method comprises the following steps: (1) preparing (R)-alpha-phenyl-alpha-cyclopentyl-alpha-methyl glycolate; (2) preparing anintermediate, wherein the intermediate is N-benzyl-3-azabicyclo-[3.3. 1]-non-9 [alpha]-alcohol; and (3) carrying out transesterification on the (R)-alpha-phenyl-alpha-cyclopentyl-alpha-methyl glycolate and N-benzyl-3-azabicyclo-[3.3. 1]-non-9 alpha-ol, removing benzyl on N through catalytic hydrogenation to obtain a crude product of L-demethyl benzene ring nonyl ester, salifying, and recrystallizing to obtain the L-hydrochloric acid demethyl benzene ring nonyl ester. The method is environmentally friendly and suitable for large-scale production.

Preparation method of demethyl levophencynonate hydrochloride

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Paragraph 0014, (2019/06/08)

The invention belongs to the field of preparation of chemical intermediates, and specifically relates to a preparation method of demethyl levophencynonate hydrochloride. The preparation method is characterized in that benzylamine as a raw material is prepared into N,N-diethoxy methyl benzylamine; the N,N-diethoxy methyl benzylamine reacts with cyclohexanone and is selectively reduced, and reacts with (R)-alpha-phenyl-alpha-cyclopentyl-alpha-methyl glycolate; and a target product, namely the demethyl levophencynonate hydrochloride, is obtained through hydrogenation and salifying. The yield is improved; the cost is reduced; and operation is simple.

5,6-Membered CNN palladium pincer complexes of 3-benzyl-8-dimethylamino -3-azabicyclo[3.2.1]octane and 3-benzyl-9-dimethylamino-3-azabicyclo[3.3.1]nonane

Bulygina, Ludmila A.,Khrushcheva, Natalya S.,Lyssenko, Konstantin A.,Peregudov, Aleksander S.

, p. 64 - 70 (2019/03/14)

The unsymmetrical CNN pincer ligand precursors 4 and 7b based on the structures of bicyclo[3.2.l]octane and bicyclo[3.3.l]nonane have been synthesized. The corresponding palladium pincer 5,6-membered complexes 5 and 9 were prepared by direct cyclopalladat

THERAPEUTICALLY ACTIVE BICYCLIC-SULPHONAMIDES AND PHARMACEUTICAL COMPOSITIONS

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Paragraph 0104, (2019/05/18)

Pharmaceutical compounds have a bicyclic-sulphonamide structure and pharmaceutical compositions including the compounds may be used in therapy as brain-cell-death protectants and may be used, for example, in the treatment of chronic neurodegenerative diseases. The compounds are active as inhibitors of N-acylethanolamine-hydrolysing acid amidase (NAAA) and may be used for the therapeutic treatment and prevention of pain and inflammatory disorders and other disorders which benefit from the modulation of fatty acid ethanolamides, particularly palmitoylethanolamide (PEA).

FXR RECEPTOR MODULATOR, PREPARATION METHOD THEREFOR, AND USES THEREOF

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Paragraph 0165; 0166, (2018/11/27)

The present disclosure disclosed a modulator of FXR receptor and preparation and use thereof, which relates to the technical filed of medicinal chemistry. The present disclosure provides a modulator of FXR receptor having a structural formula I or a pharmaceutically acceptable salt, stereoisomer, solvate or prodrug thereof, which can combine with FXR receptor (that is NR1H4) and be acted as a FXR agonist or a partial agonist for preventing and treating the disease mediated by FXR, such as chronic intrahepatic or extrahepatic cholestasis, hepatic fibrosis caused by chronic cholestasis or acute intrahepatic cholestasis, chronic hepatitis B, gallstone, hepatic carcinoma, colon cancer or intestinal inflammatory disease, etc. Specifically, for some chemical compounds, their EC50 for FXR agonist activity reach below 100nM, which show an excellent FXR agonist activity and an excellent prospect to provide a new pharmaceutical selection in clinical treatment for the disease mediated by FXR.

Cyclopalladate complex of 3-benzyl-7-methyl-3,7-diazabicyclo[3.3.1]nonane

Bulygina,Khrushcheva,Peregudov,Sokolov

, p. 2479 - 2484 (2017/05/09)

A new (C,N,N)-pincer cyclopalladate unsymmetrical complex of 3-benzyl-7-methyl-3,7-diazabicyclo[3.3.1]nonane (3-benzyl-7-methylbispidine) was synthesized and characterized. Catalytic performance of this complex was examined in the Heck and Suzuki reactions and in the norbornene hydroarylation.

An approach to azabicyclo[ n.3.1]alkanes by double mannich reaction

Mityuk, Andrey P.,Denisenko, Aleksandr V.,Dacenko, Oleksandr P.,Grygorenko, Oleksandr O.,Mykhailiuk, Pavel K.,Volochnyuk, Dmitriy M.,Shishkin, Oleg V.,Tolmachev, Andrey A.

experimental part, p. 493 - 497 (2010/04/26)

Chlorotrimethylsilane-promoted double Mannich annulation of ketones using N,N-bis(methoxymethyl)benzylamine has been explored. It has been shown that the structure of the substrate drastically influenced the outcome of the reaction. The method allows azabicyclo[n.3.1]alkane derivatives (n=2-5) to be obtained in good yields. Georg Thieme Verlag Stuttgart New York.

Dihydropyridine derivatives as bradykinin antagonist

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, (2008/06/13)

Compound of formula (1) and their pharmaceutically acceptable salts wherein A1,A2,R1, R2,R3,R4,X are as defined in the specification have excellent bradykinin antagonistic activity. STR1

QUINUCLIDINE DERIVATIVES

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, (2008/06/13)

Quinuclidine derivatives of the formula STR1 and the pharmaceutically acceptable salts thereof, wherein m, P, Z, Y, R 1, R. sup.2 and R 3 are as defined below. The compounds are substance P antagonists and, therefore, are useful in treating gastrointestinal disorders, central nervous system disorders, inflammatory diseases, pain and migraine.

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