(S)-N-Methylcoclaurine

Base Information Edit

Chemical Name:(S)-N-Methylcoclaurine
CAS No.:3423-07-2
Molecular Formula:C18H21NO3
Molecular Weight:299.37
Hs Code.:
UNII:NGK4QA23PL
DSSTox Substance ID:DTXSID90955772
Nikkaji Number:J351.144H
Wikidata:Q27102185
Metabolomics Workbench ID:50746
ChEMBL ID:CHEMBL513109
Mol file:3423-07-2.mol

Synonyms:N-Methylcoclaurine;(S)-N-Methylcoclaurine;3423-07-2;Coclaurine, N-methyl-;NGK4QA23PL;(+)-S-N-Methylcoclaurine;(+)-(S)-N-Methylcoclaurine;UNII-NGK4QA23PL;(S)-N-Methyl-coclaurine;CHEBI:17041;(1S)-1,2,3,4-Tetrahydro-1-((4-hydroxyphenyl)methyl)-6-methoxy-2-methyl-7-isoquinolinol;(1S)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol;1alpha-(4-Hydroxybenzyl)-2-methyl-1,2,3,4-tetrahydro-6-methoxyisoquinoline-7-ol;7-Isoquinolinol, 1,2,3,4-tetrahydro-1-((4-hydroxyphenyl)methyl)-6-methoxy-2-methyl-, (1S)-;7-Isoquinolinol, 1,2,3,4-tetrahydro-1-((4-hydroxyphenyl)methyl)-6-methoxy-2-methyl-, (S)-;(1S)-1-(4-hydroxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol;(S)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-7-isoquinolinol;CHEMBL513109;SCHEMBL1627504;DTXSID90955772;C05176;Q27102185

Suppliers and Price of (S)-N-Methylcoclaurine

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

Medical Isotopes, Inc.
(+)-S-N-Methylcoclaurine
10 mg
$ 4250.00

Total 0 raw suppliers

Chemical Property of (S)-N-Methylcoclaurine Edit

Chemical Property:

Vapor Pressure:7.14E-10mmHg at 25°C
Boiling Point:480.9°C at 760 mmHg
Flash Point:244.6°C
PSA：52.93000
Density:1.214g/cm³
LogP:2.81600
XLogP3:3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:299.15214353
Heavy Atom Count:22
Complexity:356

Purity/Quality:: (+)-S-N-Methylcoclaurine ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)O)OC
Isomeric SMILES:CN1CCC2=CC(=C(C=C2[C@@H]1CC3=CC=C(C=C3)O)O)OC
Description This alkaloid, obtained from Glaucium fimbrilligerum, belongs to the benzylisoquinoline class of bases. Chemical analysis and degradations show that it contains one methoxyl group and two phenolic hydroxyl groups in the molecule. The full structure given has been determined from spectroscopic studies.
Uses (+)-S-N-methylcoclaurine is an structure analog of Coclaurine (C633550), a benzyltetrahydroisoquinoline alkaloid extracted from Magnolia salicifolia.

Technology Process of (S)-N-Methylcoclaurine

There total 21 articles about (S)-N-Methylcoclaurine 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:

: 248279-26-7
O-ethyllongiberine

: 3423-07-2
(S)-N-methylcoclaurine

Guidance literature:: With sodium; In tetrahydrofuran; ammonia; at -50 - -30 ℃;
DOI:10.1021/np9902284

Reference yield:

: 14031-35-7,17176-17-9,29908-03-0,75044-81-4,78548-84-2,79647-17-9,91279-78-6
S-Adenosyl-L-methionine

: 486-39-5
Coclaurine

: 3423-07-2
(S)-N-methylcoclaurine

Guidance literature:: With recombinant N-methyltransferase 1 from G_. flavum; In aq. buffer; at 30 ℃; for 4h; pH=7.5; regiospecific reaction; Enzymatic reaction;
DOI:10.1074/jbc.RA119.011547