1,3,5-Tributyl-1,3,5-triazinane

Base Information

• Chemical Name: 1,3,5-Tributyl-1,3,5-triazinane
• CAS No.: 13036-83-4
• Molecular Formula: C15H33 N3
• Molecular Weight: 255.447
• Hs Code.: 2933699090
• European Community (EC) Number: 235-905-1
• DSSTox Substance ID: DTXSID7065334
• Nikkaji Number: J103.307G
• Wikidata: Q72509997
• Mol file: 13036-83-4.mol

Synonyms:1,3,5-Tributyl-1,3,5-triazinane;13036-83-4;1,3,5-Triazine, 1,3,5-tributylhexahydro-;1,3,5-Tributylhexahydro-1,3,5-triazine;1,3,5-Triazine,1,3,5-tributylhexahydro-;s-Triazine, 1,3,5-tributylhexahydro-;EINECS 235-905-1;SCHEMBL5487662;DTXSID7065334;AMY40974;1,3,5-Tributylhexahydro-s-triazine;BBL011091;MFCD00040462;STK802318;AKOS005622544;1,3,5-Tributyl-1,3,5-triazinane #;Hexahydro-1,3,5-tri-n-butyl-S-triazine;VS-02832;FT-0696415

Chemical Property of 1,3,5-Tributyl-1,3,5-triazinane

Chemical Property:

• Vapor Pressure: 0.000579mmHg at 25°C
• Refractive Index: 1.4575 (20℃)
• Boiling Point: 311°Cat760mmHg
• Flash Point: 124.3°C
• PSA: 9.72000
• Density: 0.876g/cm³
• LogP: 2.99250
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 255.267448065
• Heavy Atom Count: 18
• Complexity: 151

Purity/Quality:

98%Min ^*data from raw suppliers

1,3,5-TRIBUTYLHEXAHYDRO-1,3,5-TRIAZINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCN1CN(CN(C1)CCCC)CCCC

Technology Process of 1,3,5-Tributyl-1,3,5-triazinane

There total 5 articles about 1,3,5-Tributyl-1,3,5-triazinane 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%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + N-butylamine (109-73-9,85404-21-3) → 1,3,5-tributyl-[1,3,5]triazinane (13036-83-4)

Guidance literature:

In ethanol; water; at 0 ℃; for 4h; Inert atmosphere;

DOI:10.1021/jacs.7b02388

Reference yield: 72.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + trimethyl(butyl-amino)silane (5577-66-2) → 1,3,5-tributyl-[1,3,5]triazinane (13036-83-4) + Hexamethyldisiloxane (107-46-0)

Guidance literature:

at 20 - 60 ℃; for 1h;

Reference yield:

dichloromethane (75-09-2) + N-butylamine (109-73-9,85404-21-3) → 1,3,5-tributyl-[1,3,5]triazinane (13036-83-4) + 5-n-butylperhydro-1,3,5-dithiazine + 3,5-dibutyl-1,3,5-thiadiazinane

Guidance literature:

With sodium sulfide; polyethyleneglycol; In water; at 40 ℃; for 24h; Yield given. Yields of byproduct given;

upstream raw materials:

formaldehyd

N-butylamine

trimethyl(butyl-amino)silane

N-methylidenebutylamine

Downstream raw materials:

Butyl-phenylsulfanylmethyl-amine; hydrochloride

N-n-butyl-N-methylamine

1-butyl-5-methyl-4-phenylimidazole 3-oxide

formic acid

Refernces

• 1、 Cherkasov, Rafael A.,Shurygin, Igor D.,Garifzyanov, Airat R.,Mirzayanov, Ildar I.,Gaynullin, Aynaz Z.,Ivshin, Kamil A.,Kataeva, Olga N.. "Synthesis and complexation of N,N-Bis(O-diethylhydroxyphosphorylmethyl)-N-butylamine". . p. 317 - 318. Retrieved 2019.
• 2、 Reis, Marcelo Isidoro P.,Campos, Vinícius R.,Resende, Jackson A. L. C.,Silva, Fernando C.,Ferreira, Vitor F.. "A new and efficient procedure for the synthesis of hexahydropyrimidine-fused 1,4-naphthoquinones". . p. 1235 - 1240. Retrieved 2015.
• 3、 Ma, Xiaoshen,Dang, Hester,Rose, John A.,Rablen, Paul,Herzon, Seth B.. "Hydroheteroarylation of Unactivated Alkenes Using N-Methoxyheteroarenium Salts". supporting information. p. 5998 - 6007. Retrieved 2017/05/04.