Nicoboxil

Base Information

Chemical Name:Nicoboxil
CAS No.:13912-80-6
Molecular Formula:C12H17NO3
Molecular Weight:223.272
Hs Code.:2933399090
European Community (EC) Number:237-684-7
UNII:GSD5B9US0W
DSSTox Substance ID:DTXSID4057635
Nikkaji Number:J8.458A
Wikidata:Q27114872
NCI Thesaurus Code:C84007
Metabolomics Workbench ID:67640
ChEMBL ID:CHEMBL2105161
Mol file:13912-80-6.mol

Synonyms:2-butoxyethyl nicotinate;beta-butoxyethyl nicotinate;nicoboxil

Suppliers and Price of Nicoboxil

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

American Custom Chemicals Corporation
NICOBOXIL 95.00%
5MG
$ 505.97

Total 50 raw suppliers

Chemical Property of Nicoboxil

Chemical Property:

Vapor Pressure:0.00248mmHg at 25°C
Refractive Index:1.494
Boiling Point:287.4 °C at 760 mmHg
PKA:3.10±0.10(Predicted)
Flash Point:127.6 °C
PSA：48.42000
Density:1.066g/cm³
LogP:2.05510
XLogP3:2.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:223.12084340
Heavy Atom Count:16
Complexity:197

Purity/Quality:

99% ^*data from raw suppliers

NICOBOXIL 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCOCCOC(=O)C1=CN=CC=C1
Recent ClinicalTrials:Efficacy and Safety of Finalgon? Cream Multiple Doses in Acute Low Back Pain
Recent EU Clinical Trials:A multi-centre, double-blind, randomised, parallel group study to assess the efficacy and safety of multiple doses of topically applied hyperemisation-inducing ointment (2 cm ointment line per application; up to 3 times daily for up to 4 days) containing 2.5% Nicoboxil/0.4% Nonivamide versus 2.5% Nicoboxil, 0.4% Nonivamide and placebo in patients 18 to 65 years of age with acute low back pain
Uses Nicoboxil is a medication used in the treatment of acute non-specific low back pains.

Technology Process of Nicoboxil

There total 1 articles about Nicoboxil 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:

: 59-67-6
nicotinic acid

: 111-76-2,9004-77-7
2-Butoxyethanol

: 13912-80-6
Butoxyethyl nicotinate

Guidance literature:: With sulfuric acid; benzene;

Reference yield: 62.0%

: 13912-80-6
Butoxyethyl nicotinate

: 358-23-6
trifluoromethylsulfonic anhydride

: 2408844-78-8
5-(diphenylphosphaneyl)-2-(trifluoromethyl)pyridine

: (3-((2-butoxyethoxy)carbonyl)pyridin-4-yl)diphenyl(6-(trifluoromethyl)pyridin-3-yl)phosphonium trifluoromethanesulfonate

Guidance literature:: Butoxyethyl nicotinate; trifluoromethylsulfonic anhydride; 5-(diphenylphosphaneyl)-2-(trifluoromethyl)pyridine; In dichloromethane; at -50 ℃; for 1h; Inert atmosphere;

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In dichloromethane; at -78 - 20 ℃; for 0.333333 - 0.5h; Inert atmosphere;
DOI:10.1021/jacs.0c04674