17-Northebaine

Base Information Edit

Chemical Name:17-Northebaine
CAS No.:2579-67-1
Molecular Formula:C18H19 N O3
Molecular Weight:297.354
Hs Code.:
DSSTox Substance ID:DTXSID00446984
Nikkaji Number:J494.991I
Wikidata:Q82265747
Mol file:2579-67-1.mol

Synonyms:Morphinan,6,7,8,14-tetradehydro-4,5a-epoxy-3,6-dimethoxy- (8CI); Northebaine (7CI); (-)-Northebaine;17-Northebaine; N-Demethylthebaine; N-Northebaine

Suppliers and Price of 17-Northebaine

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

Total 0 raw suppliers

Chemical Property of 17-Northebaine Edit

Chemical Property:

Melting Point:152-153 °C
Boiling Point:483.6±45.0 °C(Predicted)
PKA:8.43±0.40(Predicted)
PSA：39.72000
Density:1.32±0.1 g/cm3(Predicted)
LogP:2.41110
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:297.13649347
Heavy Atom Count:22
Complexity:557

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=C2C3=C(CC4C5=CC=C(C(C53CCN4)O2)OC)C=C1
Isomeric SMILES:COC1=C2C3=C(C[C@@H]4C5=CC=C([C@@H]([C@@]53CCN4)O2)OC)C=C1
Uses A metabolite of Thebaine Controlled substance.

Technology Process of 17-Northebaine

There total 2 articles about 17-Northebaine 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: 87.0%

: thebaine N-oxide hydrochloride

: 2579-67-1
northebaine

: 115-37-7
thebaine

Guidance literature:: With ferroceneacetic acid; In chloroform; at 20 ℃; for 8h; Inert atmosphere;
DOI:10.1055/s-0032-1316590

Reference yield:

: thebaine N-oxide

: 2579-67-1
northebaine

: 115-37-7
thebaine

Guidance literature:: iron functionalised silica with 4-(3-butenyl)-4'-methyl-2,2'-bipyridyl ligand; In ethanol; at 75 ℃; for 2.5h; Product distribution / selectivity;