cis-3'-Hydroxycotinine

Base Information

Chemical Name:cis-3'-Hydroxycotinine
CAS No.:37096-14-3
Molecular Formula:C10H12 N2 O2
Molecular Weight:192.217
Hs Code.:2933990090
UNII:WML2ZJK52E
DSSTox Substance ID:DTXSID30891867
Nikkaji Number:J355.910F
Wikidata:Q63395909

Synonyms:cis-3'-Hydroxy Cotinine;37096-14-3;cis-3'-Hydroxycotinine;3'-Hydroxycotinine, cis-;WML2ZJK52E;(3S,5S)-3-hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one;276799-61-2;(3S,5S)-3-Hydroxy-1-methyl-5-(3-pyridinyl)-2-pyrrolidinone;2-Pyrrolidinone, 3-hydroxy-1-methyl-5-(3-pyridinyl)-, (3S,5S)-;2-Pyrrolidinone,3-hydroxy-1-methyl-5-(3-pyridinyl)-, (3R,5R)-rel-;(3S,5S)-3-Hydroxycotinine;UNII-WML2ZJK52E;SCHEMBL10890289;DTXSID30891867;CHEBI:177590;AKOS006275998;Q63395909;2-Pyrrolidinone,3-hydroxy-1-methyl-5-(3-pyridinyl)-,(3S,5S)-;(3S,5S)-3-HYDROXY-1-METHYL-5-(PYRIDIN-3-YL)PYRROLIDIN-2-ONE

Suppliers and Price of cis-3'-Hydroxycotinine

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

TRC
cis-3''-HydroxyCotinine
2mg
$ 110.00

Total 7 raw suppliers

Chemical Property of cis-3'-Hydroxycotinine

Chemical Property:

Vapor Pressure:1.11E-07mmHg at 25°C
Melting Point:128-130°C
Boiling Point:416.5°Cat760mmHg
Flash Point:205.7°C
PSA：53.43000
Density:1.275g/cm³
LogP:0.28360
Storage Temp.:-20°C Freezer
XLogP3:-0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:192.089877630
Heavy Atom Count:14
Complexity:232

Purity/Quality:

98%Min ^*data from raw suppliers

cis-3''-HydroxyCotinine ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C(CC(C1=O)O)C2=CN=CC=C2
Isomeric SMILES:CN1[C@@H](C[C@@H](C1=O)O)C2=CN=CC=C2

Technology Process of cis-3'-Hydroxycotinine

There total 10 articles about cis-3'-Hydroxycotinine 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: 54.0%

: 796843-65-7
(2S)-N-[[(3S,5S)-2-methyl-3-(3-pyridyl)isoxazolidin-5-yl]carbonyl]bornane-10,2-sultam

: 37096-14-3,108450-02-8,27323-64-4,223655-46-7
cis-(3'S,5'S)-3'-hydroxycotinine

Guidance literature:: With hydrogen; palladium on activated charcoal; In ethanol; for 1.5h;
DOI:10.1016/j.tet.2004.08.023

Reference yield: 7.0%

: 15569-85-4
cotinine

: 61192-50-5,75919-05-0
5-hydroxy-1-methyl-5-(3-pyridyl)-2-pyrrolidinone

: 34834-67-8,37096-14-3,61192-46-9,79581-34-3,108450-02-8,27323-64-4,223655-46-7
trans-3'-hydroxycotinine

Guidance literature:: With iodosylbenzene; (5,10,15,20-tetraphenylporphyrinato)manganese(III) chloride; In dichloromethane;
DOI:10.1016/S0040-4039(00)97989-9

Reference yield:

: 486-56-6
cotinine

: 34834-67-8,108450-02-8,27323-64-4,223655-46-7
trans-3'-Hydroxycotinine

: 37096-14-3,108450-02-8,27323-64-4,223655-46-7
cis-(3'S,5'S)-3'-hydroxycotinine

Guidance literature:: With MoO₅*pyridine*HMPA; lithium diisopropyl amide; Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts; 1.) THF, hexane, -78 deg C, 2.) a) from -78 to 0 deg C, 15 min, b) from 0 to 10 deg C, 15 min;
DOI:10.1021/jm00169a009