3-((1S,2S)-1-Methyl-1-oxido-2-pyrrolidinyl)pyridine

Base Information Edit

Chemical Name:3-((1S,2S)-1-Methyl-1-oxido-2-pyrrolidinyl)pyridine
CAS No.:51095-86-4
Molecular Formula:C10H14N2O
Molecular Weight:178.234
Hs Code.:
European Community (EC) Number:881-738-8
UNII:6V35J35GP5
Nikkaji Number:J527.036G
Wikidata:Q27265563
Mol file:51095-86-4.mol

Synonyms:51095-86-4;Nicotine-cis-N-oxide;(1'S,2'S)-Nicotine 1'-Oxide;3-((1S,2S)-1-Methyl-1-oxido-2-pyrrolidinyl)pyridine;(1S,2S)-syn-Nicotine N'-oxide;Nicotine-cis-N-oxide, (+)-;(1'S,2'S)-trans-Nicotine-1'-N-oxide;rac-Nicotine-1'-oxide;Nicotine N'-oxide, (1'S,2'S)-;6V35J35GP5;(1'S,2'S)-Nicotine-1'-oxide;3-[(1S,2S)-1-Methyl-1-oxidopyrrolidin-2-yl]pyridine;Nicotine 1'-N-oxide;Pyridine, 3-((1S,2S)-1-methyl-1-oxido-2-pyrrolidinyl)-;3-[(1S,2S)-1-methyl-1-oxidopyrrolidin-1-ium-2-yl]pyridine;(1S,2S)-1-METHYL-2-(PYRIDIN-3-YL)PYRROLIDIN-1-IUM-1-OLATE;Pyridine, 3-[(1S,2S)-1-methyl-1-oxido-2-pyrrolidinyl]-;trans-nicotine n'-oxide;(1's,2's)-Nicotine-N'-oxide;UNII-6V35J35GP5;3-(1-Methyl-1-oxido-2-pyrrolidinyl)pyridine #;(1'S,2'S)-nicotine N'-oxide;CHEBI:142660;trans-(S)-nicotine N(1')-oxide;trans-(S)-(-)-nicotine N(1')-oxide;MS-22953;Q27265563;(1 inverted exclamation mark S,2 inverted exclamation mark S)-Nicotine 1 inverted exclamation mark -Oxide

Suppliers and Price of 3-((1S,2S)-1-Methyl-1-oxido-2-pyrrolidinyl)pyridine

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
(1’S,2’S)-Nicotine1’-Oxide
100mg
$ 180.00

TRC
(1’S,2’S)-Nicotine1’-Oxide
250mg
$ 490.00

Cayman Chemical
(1'S,2'S)-Nicotine-1'-oxide ≥98%
100mg
$ 293.00

Cayman Chemical
(1'S,2'S)-Nicotine-1'-oxide ≥98%
50mg
$ 156.00

Cayman Chemical
(1'S,2'S)-Nicotine-1'-oxide ≥98%
25mg
$ 82.00

Total 16 raw suppliers

Chemical Property of 3-((1S,2S)-1-Methyl-1-oxido-2-pyrrolidinyl)pyridine Edit

Chemical Property:

Melting Point:182-183°C
PSA：42.32000
LogP:1.81970
Storage Temp.:Hygroscopic, -20°C Freezer, Under Inert Atmosphere
XLogP3:0.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:178.110613074
Heavy Atom Count:13
Complexity:186

Purity/Quality:

99% ^*data from raw suppliers

(1’S,2’S)-Nicotine1’-Oxide ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C[N+]1(CCCC1C2=CN=CC=C2)[O-]
Isomeric SMILES:C[N@@+]1(CCC[C@H]1C2=CN=CC=C2)[O-]
Uses Nicotine-1’-N-oxide is a derivative of nicotine found in the leaves, stems, and roots of N. tabacum, N. affinis and N. sylvestris. Nicotine-1’-N-oxide has also been identified as a metabolite of nicotine in animals and in man. The metabolism of nicotine Nicotine-1’-N-oxide is a derivative of Nicotine (N412420) found in the leaves, stems, and roots of N. tabacum, N. affinis and N. sylvestris. Nicotine-1’-N-oxide has also been identified as a metabolite of nicotine in animals and in man. The metabolism of nicotine in man proceeds by alternative routes of oxidation of nitrogen to form nicotine-1’-N-oxide (both diastereomers) or cotinine. The ratio of these two products has been suggested as an indicator of bladder cancer in humans.

Technology Process of 3-((1S,2S)-1-Methyl-1-oxido-2-pyrrolidinyl)pyridine

There total 8 articles about 3-((1S,2S)-1-Methyl-1-oxido-2-pyrrolidinyl)pyridine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.0%

: 54-11-5
nicotin

: 29419-54-3,29419-55-4,51020-67-8,51095-86-4,491-26-9,63551-14-4
nicotine-1'-N-oxide

Guidance literature:: With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; water; at 0 ℃; for 1.5h; Inert atmosphere;
DOI:10.1002/jhet.841

Reference yield: 27.5%

: 54-11-5
nicotin

: 494-97-3,13450-58-3
nornicotine

: 5980-06-3,17114-40-8
S-(-)-Norcotinine

: 486-56-6
cotinine

: 491-26-9,29419-54-3,29419-55-4,51020-67-8,51095-86-4,63551-14-4
Nicotine-N-oxide

Guidance literature:: With air; cofactor solution; phenobarbitone-induced rabbit hepatic homogenate; In phosphate buffer; at 37 ℃; for 1h; pH=7.4; Further byproducts given;
DOI:10.1002/(SICI)1099-1344(199904)42:4<387::AID-JLCR203>3.0.CO;2-5