Octenidine

Base Information

• Chemical Name: Octenidine
• CAS No.: 71251-02-0
• Molecular Formula: C₃₆H₆₂N₄
• Molecular Weight: 550.915
• European Community (EC) Number: 615-267-4
• UNII: OZE0372S5A
• DSSTox Substance ID: DTXSID70221427
• Nikkaji Number: J19.055A
• Wikidata: Q27285931
• NCI Thesaurus Code: C174821
• Metabolomics Workbench ID: 153578
• ChEMBL ID: CHEMBL1199480
• Mol file: 71251-02-0.mol

Synonyms:LAS-189962;LAS189962;N,N'-(1,10-decanediyldi-1-(4H)-pyridinyl-4-ylidene)bis-(1-octamine) dihydrochloride;octeniderm;octenidine;octenidine dihydrochloride;octenidine disaccharin;octenidine HCl;octenidine hydrochloride;octenidine saccharin;Octenidol;WIN 41,464-6;Win 41464-2;WIN-41464-2;WIN-41464-6

Chemical Property of Octenidine

Chemical Property:

• Vapor Pressure: 8.66E-15mmHg at 25°C
• Melting Point: 215～217 °C
• Refractive Index: 1.518
• Boiling Point: 609.3 °C at 760 mmHg
• PKA: 14.60±0.70(Predicted)
• Flash Point: 322.3 °C
• PSA: 34.58000
• Density: 0.94 g/cm³
• LogP: 9.63300
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 11
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 25
• Exact Mass: 550.49744799
• Heavy Atom Count: 40
• Complexity: 691

Purity/Quality:

99% ^*data from raw suppliers

Octenidine 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCN=C1C=CN(C=C1)CCCCCCCCCCN2C=CC(=NCCCCCCCC)C=C2
• Recent EU Clinical Trials: A phase IIa single-center, randomized, controlled, observer-blind study to investigate the antimicrobial efficacy of topical formulations containing octenidine and prednicarbate in an 'expanded flora test' with healthy subjects
• Uses: Anti-infective, topical.

Technology Process of Octenidine

There total 3 articles about Octenidine 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:

octenidine dihydrochloride (70775-75-6) → N,N'-(1,10 decanediyldi-1[4H]-pyridinyl-4-ylidene)-bis-(1-octanamine) (71251-02-0)

Guidance literature:

With sodium hydroxide; In water; toluene; at 20 - 30 ℃;

Reference yield:

4-aminopyridine (504-24-5) → N,N'-(1,10 decanediyldi-1[4H]-pyridinyl-4-ylidene)-bis-(1-octanamine) (71251-02-0)

Guidance literature:

Multi-step reaction with 3 steps

1: hydrogen; palladium 10% on activated carbon / ethanol / 80 °C / 2625.26 Torr

2: acetic acid butyl ester / 12 h / Reflux

3: sodium hydroxide / water; toluene / 20 - 30 °C

With palladium 10% on activated carbon; hydrogen; sodium hydroxide; In ethanol; acetic acid butyl ester; water; toluene;

Reference yield:

Octanal (124-13-0) → N,N'-(1,10 decanediyldi-1[4H]-pyridinyl-4-ylidene)-bis-(1-octanamine) (71251-02-0)

Guidance literature:

Multi-step reaction with 3 steps

1: hydrogen; palladium 10% on activated carbon / ethanol / 80 °C / 2625.26 Torr

2: acetic acid butyl ester / 12 h / Reflux

3: sodium hydroxide / water; toluene / 20 - 30 °C

With palladium 10% on activated carbon; hydrogen; sodium hydroxide; In ethanol; acetic acid butyl ester; water; toluene;

upstream raw materials:

octenidine dihydrochloride

4-aminopyridine

Octanal

Refernces