Benproperine

Base Information Edit

Chemical Name:Benproperine
CAS No.:2156-27-6
Molecular Formula:C21H27NO
Molecular Weight:309.451
Hs Code.:2933399090
UNII:3AA6IZ48YK
DSSTox Substance ID:DTXSID10862853
Nikkaji Number:J7.339C
Wikipedia:Benproperine
Wikidata:Q818139
NCI Thesaurus Code:C78103
Metabolomics Workbench ID:154127
ChEMBL ID:CHEMBL2105910
Mol file:2156-27-6.mol

Synonyms:(+)-benproperine;(-)-benproperine;(R)-benproperine;(S)-benproperine;1-((1R)-1-methyl-2-(2-(phenylmethyl)phenoxy)ethyl)-piperidine;1-((1S)-1-methyl-2-(2-(phenylmethyl)phenoxy)ethyl)-piperidine;1-(1-methyl-2-(2-(phenylmethyl)phenoxy)ethyl)-piperidine and 4,4'-methylenebis(3-hydroxy-2-naphthalenecarboxylate) (2:1);1-(2-(2-benzylphenoxy)-1-methylethyl)piperidine;1-(2-(2-benzylphenoxy)-1-methylethyl)piperidine monophosphate;1-(o-benzylphenoxy)-2-piperidinopropane phosphate;ASA 158-5;ASA 158-5 free base;ASA-158-5;ASA-158-5 free base;ASA-1585 pamoate;benproperine;benproperine embonate;benproperine pamoate;benproperine phosphate;benproperine trihydrogen phosphate;benproperine, (+)-;benproperine, (-)-;benproperine, (R)-;benproperine, (S)-;Cofrel;piperidine, 1-((1R)-1-methyl-2-(2-(phenylmethyl)phenoxy)ethyl)-;piperidine, 1-((1S)-1-methyl-2-(2-(phenylmethyl)phenoxy)ethyl)-;pirexyl;Tussafug

Suppliers and Price of Benproperine

Supply Marketing:Edit

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

AvaChem
Benproperine
1g
$ 259.00

AvaChem
Benproperine
50mg
$ 129.00

American Custom Chemicals Corporation
BENPROPERINE 95.00%
5MG
$ 505.98

Total 33 raw suppliers

Chemical Property of Benproperine Edit

Chemical Property:

Refractive Index:1.5614 (estimate)
Boiling Point:433 °C at 760 mmHg
PKA:9.46±0.50(Predicted)
Flash Point:126.8 °C
PSA：12.47000
Density:1.04 g/cm³
LogP:4.46850
XLogP3:5.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:309.209264485
Heavy Atom Count:23
Complexity:320

Purity/Quality:

98%,99%, ^*data from raw suppliers

Benproperine ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(COC1=CC=CC=C1CC2=CC=CC=C2)N3CCCCC3
Therapeutic Function Antitussive

Technology Process of Benproperine

There total 9 articles about Benproperine 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: 49.0%

: 1-(3-(2-benzylphenoxy)-2-chloropropyl)piperidine

: 2156-27-6,124700-66-9
1-[1-methyl-2-[2-(phenylmethyl)phenoxy]ethyl]piperidine

Guidance literature:: 1-(3-(2-benzylphenoxy)-2-chloropropyl)piperidine; With sodium iodide; In acetonitrile; at 20 ℃; for 18h; Sealed tube; Inert atmosphere;

With lithium aluminium tetrahydride; In tetrahydrofuran; acetonitrile; at 0 ℃; for 0.0833333h; Sealed tube; Inert atmosphere;
DOI:10.1002/anie.202005652

Reference yield:

: 28994-41-4
o-Benzylphenol

: 2156-27-6,124700-66-9
1-[1-methyl-2-[2-(phenylmethyl)phenoxy]ethyl]piperidine

Guidance literature:: Multi-step reaction with 3 steps

1: potassium carbonate / acetonitrile / Reflux

2: triphenylphosphine; carbon tetrabromide / dichloromethane / 20 °C

3: potassium carbonate / N,N-dimethyl-formamide / Reflux

With carbon tetrabromide; potassium carbonate; triphenylphosphine; In dichloromethane; N,N-dimethyl-formamide; acetonitrile;