Septicine

Base Information

Chemical Name:Septicine
CAS No.:42922-10-1
Molecular Formula:C24H29NO4
Molecular Weight:395.499
Hs Code.:
DSSTox Substance ID:DTXSID60444567
Wikidata:Q82262739
Metabolomics Workbench ID:121977
ChEMBL ID:CHEMBL1092163
Mol file:42922-10-1.mol

Synonyms:septicine

Suppliers and Price of Septicine

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 1 raw suppliers

Chemical Property of Septicine

Chemical Property:

XLogP3:3.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:395.20965841
Heavy Atom Count:29
Complexity:579

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=C(C=C(C=C1)C2=C(CN3CCCC3C2)C4=CC(=C(C=C4)OC)OC)OC
Isomeric SMILES:COC1=C(C=C(C=C1)C2=C(CN3CCC[C@@H]3C2)C4=CC(=C(C=C4)OC)OC)OC

Technology Process of Septicine

There total 24 articles about Septicine 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: 91.0%

: 1446846-74-7
(S)-1,2,8,8a-tetrahydro-6,7-bis(3,4-dimethoxyphenyl)-indolizin-3(5H)-one

: 26503-67-3,30062-27-2,42922-10-1,24316-18-5
(S)-1,2,3,5,8,8a-hexahydro-6,7-bis(3,4-dimethoxy-phenyl)indolizine

Guidance literature:: With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; Inert atmosphere;
DOI:10.1080/00397911.2012.736004

Reference yield: 60.0%

: 5703-21-9
3,4-dimethoxyphenylacetaldehyde

: 138596-88-0
(S)-tert-butyl 2-(2-(3,4-dimethoxyphenyl)-2-oxoethyl)pyrrolidine-1-carboxylate

: 26503-67-3,30062-27-2,42922-10-1,24316-18-5
(S)-1,2,3,5,8,8a-hexahydro-6,7-bis(3,4-dimethoxy-phenyl)indolizine

Guidance literature:: (S)-tert-butyl 2-(2-(3,4-dimethoxyphenyl)-2-oxoethyl)pyrrolidine-1-carboxylate; With trifluoroacetic acid; In dichloromethane; at 0 - 20 ℃; for 2h; Inert atmosphere;

3,4-dimethoxyphenylacetaldehyde; In benzene; at 0 - 20 ℃; for 5h; Inert atmosphere;

With sodium tetrahydroborate; In methanol; at 0 - 20 ℃; for 3h; Inert atmosphere;
DOI:10.1021/ol403229q

Reference yield:

: 126378-42-5
4-methoxy-3-(trisopropylsilyl)pyridine

: 42922-10-1
septicine

Guidance literature:: Multi-step reaction with 8 steps

1: toluene / 1 h / -42 °C

2: 1.) Mg / 1) THF, rt, 20 min, 0 deg C, 1 h, rt, 2 h; 2) THF, toluene, -78 deg C, 4 h

3: 1.) NaIO₄, OsO₄, 2.) L-selectride / 1) H₂O, THF, rt, 19 h; 2) THF, -78 deg C, 2 h

4: 96 percent / Ph₃P, N-chlorosuccinimide / CH₂Cl₂ / 1) -23 deg C, 1 h; 2) 25 deg C, 2 h

5: 91 percent / NaOMe / methanol / 1) reflux, 6 h; 2) rt, 14 h

6: 95 percent / pyridinium bromide perbromide / CH₂Cl₂ / 4.5 h / -23 °C

7: 1.) L-selectride / 1) THF, -23 deg C, 3 h; 2) THF, -23 deg C, 14 h

8: 1.) t-BuLi, 2.) ZnBr₂, 3.) (Ph₃P)4Pd / 1) THF, -78 deg C, 2 h; 2) THF, -78 deg C, 10 min; 3) THF, 25 deg C, 2 h, reflux, 2 d

With sodium periodate; N-chloro-succinimide; osmium(VIII) oxide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; tert.-butyl lithium; sodium methylate; pyridinium hydrobromide perbromide; L-Selectride; magnesium; triphenylphosphine; zinc dibromide; In methanol; dichloromethane; toluene;
DOI:10.1021/jo9711495