N-Methylephedrine

Base Information

Chemical Name:N-Methylephedrine
CAS No.:17605-71-9
Molecular Formula:C11H17 N O
Molecular Weight:179.262
Hs Code.:29394900
European Community (EC) Number:209-022-7,214-859-6
DSSTox Substance ID:DTXSID70859481
Nikkaji Number:J28.539K
Wikipedia:N-Methylephedrine
Wikidata:Q27162269
NCI Thesaurus Code:C77293
Metabolomics Workbench ID:49637
ChEMBL ID:CHEMBL4792285
Mol file:17605-71-9.mol

Synonyms:methylephedrine;methylpseudoephedrine;N-methylephedrine;N-methylephedrine hydrochloride, (R*,R*)-(+-)-isomer;N-methylephedrine hydrochloride, (R*,S*)-(+-)-isomer;N-methylephedrine hydrochloride, (R*,S*)-isomer;N-methylephedrine hydrochloride, (R-(R*,S*))-isomer;N-methylephedrine hydrochloride, (S-(R*,R*))-isomer;N-methylephedrine, (R*,R*)-isomer;N-methylephedrine, (R*,S*)-(+-)-isomer;N-methylephedrine, (R*,S*)-isomer;N-methylephedrine, (R-(R*,S*))-isomer;N-methylephedrine, (S-(R*,R*))-isomer

This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.

Chemical Property of N-Methylephedrine

Chemical Property:

Melting Point:192-194°C
Refractive Index:1.5320 (estimate)
Boiling Point:251.3 °C at 760 mmHg
Flash Point:96.9 °C
PSA：23.47000
Density:1.009 g/cm³
LogP:2.47210
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:179.131014166
Heavy Atom Count:13
Complexity:141

Purity/Quality:

Safty Information:

Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.;
Hazard Codes:R36/37/38:Irritating to eyes, respiratory system and skin.;
Statements: 36/37/38
Safety Statements: 26-36

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C(C1=CC=CC=C1)O)N(C)C

Technology Process of N-Methylephedrine

There total 24 articles about N-Methylephedrine 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: 100.0%

: 16251-47-1
(4S,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-one

: 1201-56-5,14222-20-9,17605-71-9,39263-91-7,42151-56-4,51018-28-1,62560-55-8,87040-40-2,552-79-4
(1S,2S)-N-Methylpseudoephedrine

Guidance literature:: With lithium aluminium tetrahydride; In tetrahydrofuran;
DOI:10.1016/S0040-4039(00)01753-6

Reference yield: 99.0%

: 15351-09-4
metamfepramone

: 1201-56-5,14222-20-9,17605-71-9,39263-91-7,42151-56-4,51018-28-1,62560-55-8,87040-40-2,552-79-4
(1S,2S)-N-Methylpseudoephedrine

Guidance literature:: With bis(1,5-cyclooctadiene)diiridium(I) dichloride; f-amphox; hydrogen; caesium carbonate; In isopropyl alcohol; at 20 - 30 ℃; for 12h; under 15201 Torr; stereoselective reaction; Catalytic behavior; Inert atmosphere; Autoclave;
DOI:10.1021/acs.orglett.7b00844