Phlegmarine

Base Information

Chemical Name:Phlegmarine
CAS No.:66834-87-5
Molecular Formula:C16H30N2
Molecular Weight:250.4228
Hs Code.:
DSSTox Substance ID:DTXSID00331846
Nikkaji Number:J2.914.885F
Wikidata:Q27107796

Synonyms:Phlegmarine;66834-87-5;(4aR,5S,7R,8aR)-7-methyl-5-[[(2S)-piperidin-2-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;C09892;CHEBI:8109;DTXSID00331846;Q27107796;(5S,4abeta,8aalpha)-7beta-Methyl-5alpha-[[(2S)-piperidine-2-yl]methyl]decahydroquinoline

Suppliers and Price of Phlegmarine

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 16 raw suppliers

Chemical Property of Phlegmarine

Chemical Property:

Vapor Pressure:0.000316mmHg at 25°C
Boiling Point:320.5°Cat760mmHg
Flash Point:162.1°C
Density:0.925g/cm³
XLogP3:3.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:250.240898965
Heavy Atom Count:18
Complexity:266

Purity/Quality:: 99% ,98%,Electron Grade , ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CC(C2CCCNC2C1)CC3CCCCN3
Isomeric SMILES:C[C@@H]1C[C@H]([C@H]2CCCN[C@@H]2C1)C[C@@H]3CCCCN3

Technology Process of Phlegmarine

There total 5 articles about Phlegmarine 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: 96.0%

: 1257519-78-0
(2S)-2-[(4aR,5S,7R,8aR)-1-cyano-7-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-5-yl]methyl-1-[(benzyloxy)carbonyl]piperidine

: 66834-87-5
phlegmarine

Guidance literature:: With hydrogenchloride; In water; for 3h; Inert atmosphere; Reflux;
DOI:10.1021/jo1019688

Reference yield:

: 2-[(4aR,5S,7R,8aR)-1,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-5-yl]methyl-2,3-dihydro-4-pyridone

: 66834-87-5
phlegmarine

Guidance literature:: Multi-step reaction with 5 steps

1.1: n-butyllithium / tetrahydrofuran / -78 °C / Inert atmosphere

1.2: 2.5 h / Inert atmosphere

2.1: acetic acid; zinc / 11 h / 20 °C / Inert atmosphere

3.1: potassium hexamethylsilazane; N-(5-chloropyridin-2-yl)-1,1,1-trifluoro-N-[(trifluoromethyl)sulphonyl]methanesulphonamide / tetrahydrofuran / -78 °C / Inert atmosphere

3.2: 5.75 h

4.1: lithium carbonate / dichloromethane; chloroform / 0.5 h / 0 °C / Inert atmosphere

5.1: hydrogenchloride / water / 3 h / Inert atmosphere; Reflux

With hydrogenchloride; n-butyllithium; lithium carbonate; potassium hexamethylsilazane; acetic acid; N-(5-chloropyridin-2-yl)-1,1,1-trifluoro-N-[(trifluoromethyl)sulphonyl]methanesulphonamide; zinc; In tetrahydrofuran; dichloromethane; chloroform; water;
DOI:10.1021/jo1019688

Reference yield:

: 1257519-74-6
(2R)-2-[(4aR,5S,7R,8aR)-1,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-5-yl]methyl-1-[(benzyloxy)carbonyl]-2,3-dihydro-4-pyridone

: 66834-87-5
phlegmarine

Guidance literature:: Multi-step reaction with 4 steps

1.1: acetic acid; zinc / 11 h / 20 °C / Inert atmosphere

2.1: potassium hexamethylsilazane; N-(5-chloropyridin-2-yl)-1,1,1-trifluoro-N-[(trifluoromethyl)sulphonyl]methanesulphonamide / tetrahydrofuran / -78 °C / Inert atmosphere

2.2: 5.75 h

3.1: lithium carbonate / dichloromethane; chloroform / 0.5 h / 0 °C / Inert atmosphere

4.1: hydrogenchloride / water / 3 h / Inert atmosphere; Reflux

With hydrogenchloride; lithium carbonate; potassium hexamethylsilazane; acetic acid; N-(5-chloropyridin-2-yl)-1,1,1-trifluoro-N-[(trifluoromethyl)sulphonyl]methanesulphonamide; zinc; In tetrahydrofuran; dichloromethane; chloroform; water;
DOI:10.1021/jo1019688