Predicentrine

Base Information

Chemical Name:Predicentrine
CAS No.:517-65-7
Molecular Formula:C₂₀H₂₃NO₄
Molecular Weight:341.407
Hs Code.:
Nikkaji Number:J13.984J
Wikidata:Q104396109
Metabolomics Workbench ID:133756
ChEMBL ID:CHEMBL404136
Mol file:517-65-7.mol

Synonyms:Predicentrine;(+)-Predicentrine;CHEMBL404136;BDBM50202325;(S)-1,9,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol

Suppliers and Price of Predicentrine

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

Total 2 raw suppliers

Chemical Property of Predicentrine

Chemical Property:

Vapor Pressure:7.51E-11mmHg at 25°C
Boiling Point:505.7°Cat760mmHg
Flash Point:259.7°C
PSA：51.16000
Density:1.222g/cm³
LogP:3.10800
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:341.16270821
Heavy Atom Count:25
Complexity:475

Purity/Quality:: 98%min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)OC)O
Isomeric SMILES:CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)O
Description An alkaloid of the aporphine class, the base occurs in Ocotea macropoda. The structure has been established by synthesis of the optically inactive form using 4-methoxy-3-benzyloxyphenylethylamine as the starting material.

Technology Process of Predicentrine

There total 3 articles about Predicentrine 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: 26.0%

: 67-56-1
methanol

: 476-70-0
boldine

: 20051-87-0,517-65-7
(+)-Predicentrine

: 2169-44-0
N-methyllaurotetanine

: 475-81-0
glaucine

Guidance literature:: With di-isopropyl azodicarboxylate; triphenylphosphine; In tetrahydrofuran; at 0 - 20 ℃; Inert atmosphere;
DOI:10.1021/np500893h