CID 189669

Base Information

Chemical Name:CID 189669
CAS No.:120834-89-1
Molecular Formula:C₂₀H₂₀NO₄
Molecular Weight:338.383
Hs Code.:
DSSTox Substance ID:DTXSID401130913
Nikkaji Number:J304.375D
Wikidata:Q110077342
Mol file:120834-89-1.mol

Synonyms:120834-89-1;16,17-Dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,15(20),16,18-heptaene;9,10-Dimethoxy-5,6,8,13-tetrahydrobenzo[g][1,3]benzodioxolo[5,6-a]quinolizinium;DTXSID401130913;Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium, 5,6,8,13-tetrahydro-9,10-dimethoxy-

Suppliers and Price of CID 189669

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 4 raw suppliers

Chemical Property of CID 189669

Chemical Property:

Melting Point:163℃
PSA：39.93000
LogP:2.50530
XLogP3:2.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:338.13923312
Heavy Atom Count:25
Complexity:550

Purity/Quality:: 95%-98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=C(C2=C(CC3=[N+](C2)CCC4=CC5=C(C=C43)OCO5)C=C1)OC
Description A minor constituent of Berberis lambertii, this alkaloid forms colourless crystals from EtOH. No salts or derivatives have been reported.

Technology Process of CID 189669

There total 4 articles about CID 189669 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:

: 75821-49-7
(+/-)-trans-canadine N-oxide

: 120834-89-1
7,14-dehydrocanadine

: 7,8-dehydrocanadine

Guidance literature:: With methanesulfonyl chloride; at 60 ℃; for 2h; Title compound not separated from byproducts;
DOI:10.1016/S0040-4020(00)00945-5

Reference yield:

: 633-65-8
berberine chloride

: 120834-89-1
7,14-dehydrocanadine

Guidance literature:: Multi-step reaction with 3 steps

1: NaBH₄ / methanol

2: 81 percent / mCPBA / CHCl₃ / 20 °C

3: 63 percent Spectr_. / TFAA / CHCl₃ / 1 h / -30 - 25 °C

With sodium tetrahydroborate; 3-chloro-benzenecarboperoxoic acid; trifluoroacetic anhydride; In methanol; chloroform; 1: Reduction / 2: Oxidation / 3: Elimination;
DOI:10.1016/S0040-4020(00)00945-5

Reference yield:

: 113975-46-5
9,10-dimethoxy-5,6,7,8-tetrahydro-2H-1,3-dioxolano[4,5-g]isoquinolino[3,2-a]isoquinoline-8-carbonitrile

: 120834-89-1
7,14-dehydrocanadine

Guidance literature:: Multi-step reaction with 3 steps

1: NaBH₄

2: 81 percent / mCPBA / CHCl₃ / 20 °C

3: 63 percent Spectr_. / TFAA / CHCl₃ / 1 h / -30 - 25 °C

With sodium tetrahydroborate; 3-chloro-benzenecarboperoxoic acid; trifluoroacetic anhydride; In chloroform; 1: Elimination / 2: Oxidation / 3: Elimination;
DOI:10.1016/S0040-4020(00)00945-5