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2-[(4-Methylphenyl)sulfonyl]-7-azabicyclo[2.2.1]hepta-2,5-diene-7-carboxylic acid tert-butyl ester is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

160732-46-7

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160732-46-7 Usage

Molecular structure

A complex structure with a seven-membered bicyclic ring and various functional groups attached to it.

Sulfonyl

A group derived from sulfuric acid (H2SO3) by replacing one of the oxygen atoms with a carbon atom.

Carboxylic acid

A functional group consisting of a carbonyl group (C=O) and a hydroxyl group (OH) attached to the same carbon atom.

Tert-butyl ester

A protecting group formed by the reaction of a carboxylic acid with an alcohol, in this case, tert-butanol.

Bicyclic compound

Derived from bicyclo[2.2.1]heptene, which is a bicyclic compound with a seven-membered ring.

Organic synthesis

The presence of sulfonyl and carboxylic acid groups may make 2-[(4-Methylphenyl)sulfonyl]-7-azabicyclo[2.2.1]hepta-2,5-diene-7-carboxylic acid tert-butyl ester useful in organic synthesis reactions.

Medicinal chemistry

The complex structure and functional groups may lead to potential applications in the development of new drugs.

Protecting group

The tert-butyl ester group can be used as a protecting group in organic reactions, temporarily masking a functional group to prevent unwanted reactions.

Biological activity

The presence of the 7-azabicyclo[2.2.1]hepta-2,5-diene moiety suggests that the compound may have biological activity, potentially as a ligand for certain receptors.

Check Digit Verification of cas no

The CAS Registry Mumber 160732-46-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,6,0,7,3 and 2 respectively; the second part has 2 digits, 4 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 160732-46:
(8*1)+(7*6)+(6*0)+(5*7)+(4*3)+(3*2)+(2*4)+(1*6)=117
117 % 10 = 7
So 160732-46-7 is a valid CAS Registry Number.

160732-46-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name tert-butyl 3-(4-methylphenyl)sulfonyl-7-azabicyclo[2.2.1]hepta-2,5-diene-7-carboxylate

1.2 Other means of identification

Product number -
Other names endo-2-(p-tolyl-sulfone)-7-tert-butoxycarbonyl-7-azabicyclo<2.2.1>hepta-2,5-diene

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:160732-46-7 SDS

160732-46-7Relevant academic research and scientific papers

Synthesis, nicotinic acetylcholine receptor binding, and antinociceptive properties of 2-exo-2-(2′-substituted 5′-pyridinyl)-7-azabicyclo[2.2.1]heptanes. Epibatidine analogues

Carroll,Liang,Navarro,Brieaddy,Abraham,Damaj,Martin

, p. 2229 - 2237 (2001)

A convenient, high-yield synthesis of 7-tert-butoxycarbonyl-7-azabicyclo[2.2.1]hept-2-ene (5), which involved the addition of tributyltin hydride to 7-tert-butoxycarbonyl-2-p-toluenesulfonyl-7-azabicyclo[2.2.1]hept-2-ene (4) followed by elimination of the tributyltin and p-tolylsulfonyl groups using tetrabutylammonium fluoride was developed. The addition of 2-amino-5-iodopyridine to 5 under reductive Heck conditions provided 7-tert-butoxycarbonyl-2-exo-(2′-amino-5′-pyridinyl)-7-azabicyclo [2.2.1]heptane (6). Compound 6 was the key intermediate used to prepare epibatidine analogues where the 2′-chloro group on the pyridine ring was replaced with a fluorine (1b), bromine (1c), iodine (1d), hydroxy (1e), amino (1f), dimethylamino (1g), trifluoromethanesulfonate (1h), and hydrogen (1i) group. (+)- and (-)-Epibatidine and compounds 1b-d and 1i all possess similar binding affinities at the (α4β2 nAChR receptors labeled by [3H]epibatidine. Compound 1f has affinity similar to nicotine, whereas compounds 1e, 1g, and 1h have much lower affinity. The binding affinity appears to be dependent upon the electronic nature of the substituent. However, other factors are also involved. None of the compounds possesses appreciable affinity for the α7 nAChR labeled by [125I] iodo-MLA. With the exception of 1f and 1g, all the epibatidine analogues are full agonists (tail flick test) in producing antinociception after intrathecal injection in mice.

First intermolecular Pauson-Khand reaction of 7-azanorbornenes. Control of the regioselectivity by the effect of the substituents attached to the olefinic partner

Arjona, Odón,Csák?, Aurelio G.,Medel, Rocío,Plumet, Joaquín

, p. 3085 - 3087 (2001)

High regioselectivity in the intermolecular Pauson-Khand reaction of 7-azanorborn-5-enes has been found by using 5-bromo-2-endo-tosyl derivatives as the olefinic partner.

On the electronic effects of OH groups. Synthesis and investigation of tetrahydroxylated azabicycloheptanes

Gregersen, Anette,Pedersen, Christian Marcus,Jensen, Henrik Helligso,Bols, Mikael

, p. 1514 - 1519 (2007/10/03)

Two stereoisomeric 2,3,5,6-tetrahydroxyazabicyclo[2.2.1]heptanes were synthesised and their base strengths determined. The 2,3,5,6-exo-isomer 1 and the 2,3-exo-5,6-endo-isomer 2 were prepared from the Diels-Aldcr adduct of Boc-pyrrole and tosylacetylene b

Compounds and methods for promoting smoking cessation

-

, (2008/06/13)

Compounds and methods for promoting smoking cessation. The compounds may be used to treat a variety of other conditions and disease states.

Synthesis of a fluorine-18 labeled derivative of epibatidine for in vivo nicotinic acetylcholine receptor PET imaging

Dolci, Lilian,Dolle, Frederic,Valette, Heric,Vaufrey, Francoise,Fuseau, Chantal,Bottlaender, Michel,Crouzel, Christian

, p. 467 - 479 (2007/10/03)

Epibatidine (exo-2-(2'-chloro-5'-pyridyl)-7-azabicyclo[2.2.1]heptane), a natural compound isolated from the skin of the Ecuadorian poison frog Epipedobates tricolor, is the most potent nicotinic acetylcholine receptor (nAChR) agonist reported to date. In order to visualize and quantify in vivo these receptors in human brain using Positron Emission Tomography (PET), [18F]norchlorofluoroepibatidine (exo-2-(2'-[18F]fluoro-5'-pyridyl)-7-azabicyclo[2.2.1]heptane), a fluorine-18 (t(1/2): 110min) radiolabeled derivative of epibatidine has been designed. The corresponding 2'-bromo-, 2'-iodo- and 2'-nitro exo-2-(5'-pyridyl)-7-azabicyclo[2.2.1]heptane analogues as labeling precursors, as well as norchlorofluoroepibatidine as a reference compound have been synthesized by reductive, stereoselective, palladium-catalyzed Heck-type coupling between an N-Boc protected azanorbornene and the corresponding halopyridine. [18F]Norchlorofluoroepibatidine has been radiolabeled with fluorine-18 by nucleophilic aromatic substitution from the corresponding Boc-protected halo- and nitro precursors using [18F]FK-K222 complex in DMSO by conventional heating (at 150-180°C for 10min) or microwave activations (at 100 Watt, for 1 to 2.5min), followed by TFA-removal of the protective group. Typically, using the microwave activation procedure, 60-80mCi (2.22-2.96 GBq) of pure [18F]norchlorofluoroepibatidine could be obtained in less than 2h (110-115min) from the bromo labeling precursor, with specific radioactivities of 1.5-2.5Ci/μmol (55.5-92.5GBq/μmol) calculated for End of Bombardment. The preliminary PET experiments in baboon (Papio papio) with [18F]norchlorofluoroepibatidine show a high uptake and a rapid accumulation of the radiotracer into the brain within 30min. In the thalamus, a nAChR rich area, uptake of radioactivity reached a maximum at 40min (10% I.D./100mL tissue). The ratio of radioactivity thalamus/cerebellum (the latter being a nAChR poor area) was 2 at 40min and increased with time, up to 4.3 at 160min. Its specific regiodistribution and its high ratio of specific-to-nonspecific binding confirm the ideal profile of [18F]norchlorofluoroepibatidine as a suitable radioligand for PET imaging of nAChRs in the brain. Copyright (C) 1999 Elsevier Science Ltd.

The total synthesis of the analgesic alkaloid epibatidine

Giblin, Gerard M. P.,Jones, Clifford D.,Simpkins, Nigel S.

, p. 3689 - 3697 (2007/10/03)

Several synthetic routes to the analgesic alkaloid epibatidine have been explored. Approaches starting from tropinone, involving either ring-cleavage followed by intramolecular aldol reaction, or Favorskii ring-contraction, were not successful. A successf

A concise stereoselective synthesis of epibatidine employing conjugate addition to an alkenyl sulfone intermediate as the key step

Giblin, Gerrard M. P.,Jones, Clifford D.,Simpkins, Nigel S.

, p. 589 - 590 (2007/10/03)

A new synthesis of racemic epibatidine has been achieved, which involves conjugate addition of a metallated 2-methoxypyridine derivative to a suitably protected azabicyclic alkenyl sulfone as the key step.

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