nicotine-1'-N-oxide

Base Information

Chemical Name:nicotine-1'-N-oxide
CAS No.:491-26-9
Deprecated CAS:22588-95-0
Molecular Formula:C₁₀H₁₄N₂O
Molecular Weight:178.234
Hs Code.:
UNII:9R173T257I
DSSTox Substance ID:DTXSID70867021
Nikkaji Number:J124.167B
Wikidata:Q27272930
ChEMBL ID:CHEMBL3544718
Mol file:491-26-9.mol

Synonyms:nicotine 1-N-oxide;nicotine 1-N-oxide, (1R-cis)-isomer;nicotine 1-N-oxide, (1R-trans)-isomer;nicotine 1-N-oxide, (1S-cis)-isomer;nicotine 1-N-oxide, (1S-trans)-isomer;nicotine 1-N-oxide, (2S)-isomer;nicotine 1-N-oxide, (R)-isomer;nicotine 1-N-oxide, (S)-isomer;nicotine 1-N-oxide, 14C-labeled cpd;nicotine 1-N-oxide, dihydrochloride, (1R-trans)-isomer;nicotine 1-N-oxide, dihydrochloride, (1S-trans)-isomer;nicotine 1-N-oxide, dihydrochloride, (S)-isomer;nicotine-1'-N-oxide;nicotine-1'-oxide

Suppliers and Price of nicotine-1'-N-oxide

Supply Marketing:

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

American Custom Chemicals Corporation
(1'S,2'S)-NICOTINE 1'-OXIDE 95.00%
100MG
$ 2000.00

American Custom Chemicals Corporation
(1'S,2'S)-NICOTINE 1'-OXIDE 95.00%
5MG
$ 503.82

Total 12 raw suppliers

Chemical Property of nicotine-1'-N-oxide

Chemical Property:

PSA：42.32000
LogP:1.81970
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)-NICOTINE 1'-OXIDE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s): A poison.
Hazard Codes:A poison.

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-N''-oxide is is used as a reactant in the preparation and cyanation of nicotine derivatives and analogs and use in stimulating α7 nAChR and/or α4β2 receptors

Technology Process of nicotine-1'-N-oxide

There total 6 articles about nicotine-1'-N-oxide 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