Ligularidine

Base Information

Chemical Name:Ligularidine
CAS No.:60872-63-1
Molecular Formula:C21H29NO7
Molecular Weight:407.4575
Hs Code.:
DSSTox Substance ID:DTXSID201020081
Wikidata:Q105380491

Synonyms:Ligularidine;Crotaverrine acetate;O-Acetylcrotaverrine;Neoligularidine;CCRIS 5786;60872-63-1;[(1R,4E,6R,7S,11Z)-4-ethylidene-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl] acetate;(12-beta,15E)-12-(Acetyloxy)-4-methyl-4,8-secosenecionan-8,11,16-trione;4,8-Secosenecionan-8,11,16-trione, 12-(acetyloxy)-4-methyl-, (12-beta,15E)-;C21-H29-N-O7;DTXSID201020081;AKOS040734119;LS-144729

Suppliers and Price of Ligularidine

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 Ligularidine

Chemical Property:

Vapor Pressure:3.57E-15mmHg at 25°C
Boiling Point:617.4°Cat760mmHg
PKA:6.71±0.60(Predicted)
Flash Point:327.2°C
PSA：99.21000
Density:1.21g/cm³
LogP:1.51820
XLogP3:2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:2
Exact Mass:407.19440226
Heavy Atom Count:29
Complexity:754

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC=C1CC(C(C(=O)OCC2=CCN(CCC(C2=O)OC1=O)C)(C)OC(=O)C)C
Isomeric SMILES:C/C=C/1\C[C@H]([C@](C(=O)OC/C/2=C/CN(CC[C@H](C2=O)OC1=O)C)(C)OC(=O)C)C

Technology Process of Ligularidine

There total 4 articles about Ligularidine 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:

: clivorine

: 53092-44-7,60872-63-1,90364-91-3
ligularidine

: 53092-44-7,60872-63-1,90364-91-3
neoligularidine

: 90282-82-9
Acetic acid (4Z,11Z)-(1R,6R,7S)-4-ethyl-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-aza-bicyclo[9.5.1]heptadeca-4,11-dien-7-yl ester

Guidance literature:: With hydrogen; acetic acid; palladium on activated charcoal; In ethanol; Yield given. Yields of byproduct given; Ambient temperature;
DOI:10.1248/cpb.32.475

Reference yield:

: clivorine

: 53092-44-7,60872-63-1,90364-91-3
ligularidine

: 53092-44-7,60872-63-1,90364-91-3
neoligularidine

: 90282-82-9
Acetic acid (4Z,11Z)-(1R,6R,7S)-4-ethyl-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-aza-bicyclo[9.5.1]heptadeca-4,11-dien-7-yl ester

Guidance literature:: With hydrogen; acetic acid; palladium on activated charcoal; In ethanol; Yield given. Yields of byproduct given; Ambient temperature;
DOI:10.1248/cpb.32.475