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3-Benzyl-7-oxo-3-aza-bicyclo[3.3.1]nonan-9-one is a bicyclic ketone chemical compound characterized by the presence of a benzyl group and an oxo group within its structure. It features a nitrogen atom in its ring, classifying it as an aza-bicyclo compound. This unique molecular architecture positions it as a versatile intermediate in organic synthesis, particularly within the pharmaceutical and chemical industries.

77716-01-9

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77716-01-9 Usage

Uses

Used in Pharmaceutical Industry:
3-Benzyl-7-oxo-3-aza-bicyclo[3.3.1]nonan-9-one serves as a crucial building block in the synthesis of a variety of pharmaceuticals. Its complex structure allows for the creation of diverse organic compounds with potential medicinal properties.
Used in Organic Synthesis:
As a starting material, 3-Benzyl-7-oxo-3-aza-bicyclo[3.3.1]nonan-9-one is utilized in the production of complex organic molecules. Its unique structure facilitates the development of new chemical entities with specific applications in various fields.
Used in Chemical Industry:
3-Benzyl-7-oxo-3-aza-bicyclo[3.3.1nonan-9-one's role as an intermediate in organic synthesis extends to the chemical industry, where it may contribute to the formulation of specialty chemicals, materials, or other industrial products that require its particular structural attributes.

Check Digit Verification of cas no

The CAS Registry Mumber 77716-01-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,7,7,1 and 6 respectively; the second part has 2 digits, 0 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 77716-01:
(7*7)+(6*7)+(5*7)+(4*1)+(3*6)+(2*0)+(1*1)=149
149 % 10 = 9
So 77716-01-9 is a valid CAS Registry Number.
InChI:InChI=1S/C14H17NO2/c16-14-12-7-15(8-13(14)10-17-9-12)6-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2

77716-01-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name 7-benzyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-one

1.2 Other means of identification

Product number -
Other names I14-3443

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:77716-01-9 SDS

77716-01-9Relevant academic research and scientific papers

THERAPEUTICALLY ACTIVE BICYCLIC-SULPHONAMIDES AND PHARMACEUTICAL COMPOSITIONS

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Paragraph 0092, (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 agonist

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Paragraph 0616; 0618; 0619; 0620, (2019/02/10)

The present invention discloses an FXR receptor agonist, belongs to the technical field of medicine, and particularly relates to a compound represented by a formula (I), a pharmaceutically acceptablesalt, an ester or a stereoisomer thereof, wherein R, R, R, M, L, L1, W, A , B, Q, m and n are defined in the specification. The present invention further relates to a preparation method of the compound, a pharmaceutical preparation, and applications in preparation of drugs for treatment and/or prevention of nonalcoholic fatty liver disease, primary biliary cirrhosis, lipid metabolism disorder, diabetic complication, malignant tumors and other related diseases mediated by FXR receptors. The formula I is defined in the specification.

Discovery of MK-8282 as a Potent G-Protein-Coupled Receptor 119 Agonist for the Treatment of Type 2 Diabetes

Neelamkavil, Santhosh F.,Stamford, Andrew W.,Kowalski, Timothy,Biswas, Dipshikha,Boyle, Craig,Chackalamannil, Samuel,Xia, Yan,Jayne, Charles,Neustadt, Bernard,Hao, Jinsong,Liu, Hong,Dai, Xing,Baker, Hana,Hawes, Brian,O'Neill, Kim,Tang, Huadong,Greenlee, William J.

supporting information, p. 457 - 461 (2018/05/23)

The ever-growing prevalence of type 2 diabetes in the world has necessitated an urgent need for multiple orally effective agents that can regulate glucose homeostasis with a concurrent reduction in body weight. G-Protein coupled receptor 119 (GPR119) is a GPCR target at which agonists have demonstrated glucose-dependent insulin secretion and shows beneficial effects on glycemic control. Herein, we describe our efforts leading to the identification of a potent, oral GPR-119 agonist, MK-8282, which shows improved glucose tolerance in multiple animal models and has excellent off-target profile. The key design elements in the compounds involved a combination of a fluoro-pyrimidine and a conformationally constrained bridged piperidine to impart good potency and efficacy.

PYRAZOLOPYRIMIDINE INHIBITORS OF IRAK4 ACTIVITY

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Page/Page column 79; 80, (2016/09/26)

The present invention relates to pyrazolopyrimidine inhibitors of IRAK4 of formula (I) and provides compositions comprising such inhibitors, as well as methods therewith for treating IRAK4-mediated or -associated conditions or diseases.

CROSS-LINKED CYCLIC AMINE COMPOUNDS AND AGENTS FOR PEST CONTROL

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Paragraph 0115; 0116, (2015/11/16)

Agents for pest control comprising cyclic amine compounds represented by the formula (1) or salts thereof or N-oxides thereof as an active ingredient, wherein Cy 1 represents an unsubstituted or substituted 5-membered heterocycle or unsubstituted or substituted group represented by the formula (a) below, wherein Y 1 and Y 2 each independently represents nitrogen or carbon and symbol * represents the bonding positions.

BRIDGED PIPERIDINE DERIVATIVES

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Page/Page column 58, (2012/09/21)

The present invention relates to compounds of formula (l); hetaryl I is a five or six membered heteroaryl group, containing 1 to 3 heteroatoms, selected from S or N; hetaryl II is a six membered heteroaryl group, containing 1 to 3 heteroatoms, selected from S or N, or is a two membered ring system containing 1 to 4 heteroatoms selected from S, or N, wherein at least one ring is aromatic in nature; R1 is lower alkyl, lower alkoxy, lower alkyl substituted by halogen or halogen; R2 is lower alkyl, lower alkyl substituted by halogen, halogen, lower alkoxy, cycloalkyl substituted by lower alkyl or lower alkyl substituted by halogen, or is lower alkyl substituted by hydroxy, or is furyl, or is O-benzyl, (CH2)p-phenyl, optionally substituted by halogen, lower alkoxy, lower alkyl substituted by halogen, lower alkyl or by cyano; R3 is hydrogen or lower alkyl; Y is (CH2)n-, -CH2OCH2-, -CH2O-, CH2S-, -CH2SCH2- and is bonded to two of the ring carbon atoms, bonding being to either the ring carbon atoms a and b or the ring carbon atoms c and d; p is 0 or 1; m is 0, 1 or 2; if m is 2 then R1 may be the same or different; -75- n is 2 or 3; o is 0, 1 or 2, if o is 2, then R2 may be the same or different; or to pharmaceutically active acid addition salts thereof. The present compounds of formula I are modulators for amyloid beta and thus, they may be useful for the treatment or prevention of a disease associated with the deposition of β-amyloid in the brain, in particular Alzheimers disease, and other diseases such as cerebral amyloid angiopathy, hereditary cerebral hemorrhage with amyloidosis, Dutch-type (HCHWA-D), multi-infarct dementia, dementia pugilistica and Down syndrome.

BRIDGED PIPERIDINE DERIVATIVES

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Page/Page column 27, (2012/09/11)

The present invention relates to compounds of formula I hetaryl I, hetaryl II, R1, R2, R3, Y, m, and o or to pharmaceutically active acid addition salts thereof. The present compounds of formula I are modulators for amyloid beta and thus, they may be useful for the treatment or prevention of a disease associated with the deposition of β-amyloid in the brain, in particular Alzheimer's disease, and other diseases such as cerebral amyloid angiopathy, hereditary cerebral hemorrhage with amyloidosis, Dutch-type (HCHWA-D), multi-infarct dementia, dementia pugilistica and Down syndrome.

INDOLYLPYRIMIDINES AS MODULATORS OF GPR119

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Page/Page column 53-54, (2012/03/26)

The present invention relates to compounds of Formula (I) that are useful for treating, preventing and/or managing the diseases, disorders, syndromes or conditions modulated by GPR119 receptor activity. The invention also relates to the process for preparation of the compounds, pharmaceutical compositions thereof. The invention further relates to methods of treating, preventing and/or managing diseases, disorders syndromes or conditions associated with the modulation of GPR119 receptor by using either alone or in combinations of Formula (I).

Activation of the G-protein-coupled receptor 119: A conformation-base hypothesis for understanding agonist response

McClure, Kim F.,Darout, Etzer,Guimar?es, Cristiano R. W.,Deninno, Michael P.,Mascitti, Vincent,Munchhof, Michael J.,Robinson, Ralph P.,Kohrt, Jeffrey,Harris, Anthony R.,Moore, Dianna E.,Li, Bryan,Samp, Lacey,Lefker, Bruce A.,Futatsugi, Kentaro,Kung, Daniel,Bonin, Paul D.,Cornelius, Peter,Wang, Ruduan,Salter, Eben,Hornby, Sam,Kalgutkar, Amit S.,Chen, Yue

experimental part, p. 1948 - 1952 (2011/05/19)

The synthesis and properties of the bridged piperidine (oxaazabicyclo) compounds 8, 9, and 11 are described. A conformational analysis of these structures is compared with the representative GPR119 ligand 1. These results and the differences in agonist pharmacology are used to formulate a conformation-based hypothesis to understand activation of the GPR119 receptor. We also show for these structures that the agonist pharmacology in rat masks the important differences in human pharmacology.

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.

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