4-(Octylamino)pyridine

Base Information

• Chemical Name: 4-(Octylamino)pyridine
• CAS No.: 64690-19-3
• Molecular Formula: C13H22N2
• Molecular Weight: 206.331
• Hs Code.: 2933399090
• European Community (EC) Number: 265-019-0,923-282-5
• UNII: Z5WN9Z9RVQ
• DSSTox Substance ID: DTXSID90983313
• Nikkaji Number: J307.279G
• Wikidata: Q72497682
• Mol file: 64690-19-3.mol

Synonyms:4-(Octylamino)pyridine;64690-19-3;N-Octylpyridin-4-amine;4-(Octylamino)-pyridine;4-Pyridinamine, N-octyl-;4-octylaminopyridine;N-octyl-4-pyridinamine;EINECS 265-019-0;Z5WN9Z9RVQ;MFCD09743883;N-Octylpyridine-4-amine;UNII-Z5WN9Z9RVQ;N-Octylpyridin-4(1H)-imine;SCHEMBL2262258;DTXSID90983313;RHDWCSIBVZKRRU-UHFFFAOYSA-N;AKOS015843245;CS-W022020;SB38118;DS-14950;SY030347;FT-0648867;A834851

Chemical Property of 4-(Octylamino)pyridine

Chemical Property:

• Vapor Pressure: 0.000204mmHg at 25°C
• Melting Point: 70-73 °C(Solv: hexane (110-54-3))
• Refractive Index: 1.521
• Boiling Point: 327.3 °C at 760 mmHg
• PKA: 8.32±0.26(Predicted)
• Flash Point: 151.7 °C
• PSA: 24.92000
• Density: 0.947 g/cm³
• LogP: 3.92700
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 206.178298710
• Heavy Atom Count: 15
• Complexity: 131

Purity/Quality:

99% ^*data from raw suppliers

4-Octylaminopyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCNC1=CC=NC=C1
• Uses: N-Octylpyridin-4-amine is used in the synthesis of antimicrobial agent Octenidine (O239150), as chelating agent.

Technology Process of 4-(Octylamino)pyridine

There total 12 articles about 4-(Octylamino)pyridine 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: 93.0%

n-Octylamine (111-86-4) + 4-bromopyridine hydrochloride (19524-06-2) → 4-(octylamino)pyridine (64690-19-3)

Guidance literature:

With sodium t-butanolate; palladium diacetate; (R)-(-)-1-[(S)-2-(dicyclohexylphosphino)ferrocenyl]ethyl di-t-butylphosphine; In 1,2-dimethoxyethane; at 100 ℃; for 36h;

DOI:10.1021/ja077074w

Reference yield: 93.0%

n-Octylamine (111-86-4) + 2-chloropyridine hydrochloride (36316-71-9) → 4-(octylamino)pyridine (64690-19-3)

Guidance literature:

With (R)-(-)-1-[(S)-2-(dicyclohexylphosphino)ferrocenyl]ethyl di-t-butylphosphine; sodium t-butanolate; palladium diacetate; In 1,2-dimethoxyethane; at 70 ℃; for 8h;

DOI:10.1002/anie.200462629

Reference yield: 93.0%

n-octylamine hydrochloride (142-95-0) + 4-chlorpyridine hydrochloride (7379-35-3) → 4-(octylamino)pyridine (64690-19-3)

Guidance literature:

at 120 - 200 ℃; for 7h;

upstream raw materials:

4-aminopyridine

Octanal

4-phenoxypyridine

n-octylamine hydrochloride

Downstream raw materials:

N-<1-octyl-4(1H)-pyridinylidene>octanamine monohydrochloride

octenidine dihydrochloride

[1-(4-Chloro-benzyl)-1H-pyridin-4-ylidene]-octyl-amine; hydrochloride

(1-Benzyl-1H-pyridin-4-ylidene)-octyl-amine; hydrochloride

Refernces

• 1、 -. "PROCESS FOR THE SYNTHESIS OF N-ALKYL-4-PYRIDINAMINES". Page/Page column 10-11. . Retrieved 2021/01/29.
• 2、 Derkach, Yana V.,Detusheva, Elena V.,Egorov, Mikhail P.,Frolov, Nikita A.,Minaeva, Alexandra P.,Vereshchagin, Anatoly N.. "Synthesis and biological evaluation of novel cyanuric acid-tethered tris-pyridinium derivatives". . p. 368 - 369. Retrieved 2021/06/07.