89398-04-9

Basic information

• Product Name: 7-benzyl-3-thia-7-azabicyclo(3.3.1)nonan-9-one
• Synonyms: 7-benzyl-3-thia-7-azabicyclo(3.3.1)nonan-9-one;3-Thia-7-azabicyclo[3.3.1]nonan-9-one, 7-benzyl;7-benzyl-3-thia-7-azabicyclo[3.3.1]nonan-9-one(WX120728)
• CAS NO: 89398-04-9
• Molecular Formula: C₁₄H₁₇NOS
• Molecular Weight: 247.36
• Mol File: 89398-04-9.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 402.7°C at 760 mmHg
• Flash Point: 197.3°C
• Appearance: /
• Density: 1.2g/cm³
• Vapor Pressure: 1.08E-06mmHg at 25°C
• Refractive Index: 1.609
• CAS DataBase Reference: 7-benzyl-3-thia-7-azabicyclo(3.3.1)nonan-9-one(CAS DataBase Reference)
• NIST Chemistry Reference: 7-benzyl-3-thia-7-azabicyclo(3.3.1)nonan-9-one(89398-04-9)
• EPA Substance Registry System: 7-benzyl-3-thia-7-azabicyclo(3.3.1)nonan-9-one(89398-04-9)

Safety Data

• Hazardous Substances Data: 89398-04-9(Hazardous Substances Data)

Usage

InChI:InChI=1/C14H17NOS/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

Upstream product

• 1072-72-6 Tetrahydrothiopyran-4-one 
• 50-00-0 formaldehyd 
• 100-46-9 benzylamine 
• 3287-99-8 benzylamine hydrochloride 

Downstream Products

• 251904-93-5 (4-fluoro-phenyl)-(3-thia-7-aza-bicyclo[3.3.1]non-7-yl)-methanone 
• 89398-06-1 7-benzyl-3-thia-7-azabicyclo[3.3.1]nonane 
• 129340-92-7 (rac)-7-benzyl-3-thia-7-aza-bicyclo[3.3.1]nonan-9-one oxime 
• 118958-19-3 7-benzyl-9,9-dimethoxy-3-thia-7-azabicyclo<3.3.1>nonane hydroperchlorate 

Relevant articles and documents

BRIDGED PIPERIDINE DERIVATIVES

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.

Salts of 3-azabicyclo [3.3.1]nonanes as antiarrhythmic agents, and precursors thereof

Salts of 3-azabicyclo[3.3.1]nonanes are used in controlling antiarrhythmic processes and precursors thereof are disclosed.

THE MANNICH CONDENSATION WITH 1-HETERA-4-CYCLOHEXANONES. THE NOVEL FORMATION OF 7-BENZYL-3-HETERA-7-AZABICYCLONONAN-9-ONES, 3,6-DIBENZYLHEXAHYDRO-8a-METHOXY 5H-4a,8-(METHANOHETERAMETHANO)-2H-PYRIDO-1,3-OXAZINES, AND 2,4,10,12-TETRABENZYL-2,4,10,12-TETRAAZA-15-HETERADISPI...

We report for the first time the formation of unusual multicyclic products from the condensation of 1-hetera-4-cyclohexanones in a Mannich reaction with benzylamine, formaldehyde, and acetic acid in methanol.In addition to the expected ketones, namely 7-benzyl-3-hetera-7-azabicyclononan-9-ones, there were obtained from 4-thianone and 4-selenanone the following systems.Repeated Mannich condensations produced 3,6-dibenzylhexahydro-8a-(methoxy-5H-4a,8-(methanothiomethano)-2H-pyrido-1,3-oxazine, 3,6-dibenzylhexahydro-8a-methoxy-5H-4a,8-(methanoselenomethano)-2H-pyrido-1,3-oxazine, 2,4,10,12-tetrabenzyl-2,4,10,12-tetraaza-15-thiadispiro-hexadecan-7-one, and 2,4,10,12-tetrabenzyl-2,4,10,12-tetraza-15-selenadispirohexadecan-7-one.Single crystal X-ray diffraction analysis confirmed the structures of the first three solids.Using tetrahydro-4H-pyran-4-one, it was possible to obtain 7-benzyl-3-oxa-7-azabicyclononan-9-one and 2,4,10,12-tetrabenzyl-2,4,10,12-tetraaza-15-oxadispirohexadecan-7-one.To the best of our knowledge, these systems have not been previously recorded, and the method reported herein is a one-step approach.NMR analyses, including 1H, 13C, and 15N analyses, were completed and support all of the structures described herein.A mechanism is briefly outlined to explain the formation of these novel polycyclic heterocycles. - Key words: Mannich reaction; 1-hetera-4-cyclohexanones; 3,6-dibenzylhexahydro-8a-methoxy-5H-4a,8-(methanoheteromethano)-2H-pyrido--1,3-oxazine; 2,4,10,12-tetrabenzyl-2,4,10,12-tetraaza-15-heteradispirohexadecan-7-one; 7-benzyl-3-hetera-7-azabicyclononan-9-ones; selenium and sulfur derivatives.