N,N-Dibutylethylenediamine

Base Information

• Chemical Name: N,N-Dibutylethylenediamine
• CAS No.: 3529-09-7
• Molecular Formula: C10H24N2
• Molecular Weight: 172.314
• Hs Code.: 2921290000
• European Community (EC) Number: 222-558-6
• NSC Number: 100948
• DSSTox Substance ID: DTXSID80188779
• Nikkaji Number: J42.278I
• Wikidata: Q83060624
• Mol file: 3529-09-7.mol

Synonyms:N,N-di-n-Butylethylenediamine;N,N-Dibutylethylenediamine;3529-09-7;N',N'-dibutylethane-1,2-diamine;2-Dibutylaminoethylamine;(2-aminoethyl)dibutylamine;2-di-n-Butylaminoethylamine;2-(di-n-butylamino)ethylamine;N,N-dibutylethane-1,2-diamine;N1,N1-dibutyl-1,2-ethanediamine;1,2-Ethanediamine, N,N-dibutyl-;NSC100948;2-aminoethyl-dibutyl-amine;2-(Dibutylamino)ethylamine;2-(dibutylamino)-ethylamine;SCHEMBL418559;PWNDYKKNXVKQJO-UHFFFAOYSA-;DTXSID80188779;N1,N1-dibutylethane-1,2-diamine;STR05062;EINECS 222-558-6;MFCD00042827;AKOS004911190;NSC 100948;NSC-100948;CS-0152112;D1517;D82002

Chemical Property of N,N-Dibutylethylenediamine

Chemical Property:

• Vapor Pressure: 0.125mmHg at 25°C
• Melting Point: 187-188 °C
• Refractive Index: 1.4430
• Boiling Point: 218.6 °C at 760 mmHg
• PKA: 9.67±0.10(Predicted)
• Flash Point: 87.8 °C
• PSA: 29.26000
• Density: 0.842 g/cm³
• LogP: 2.54760
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 172.193948774
• Heavy Atom Count: 12
• Complexity: 75.9

Purity/Quality:

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

2-(Di-N-butylamino)ethylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R34:Causes burns.
• Hazard Codes: R34:Causes burns.
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCN(CCCC)CCN
• Uses: N,N-Dibutylethane-1,2-diamine is a volatile flavor compound of semi-wild-blood Aba Tibetan pork.

Technology Process of N,N-Dibutylethylenediamine

There total 8 articles about N,N-Dibutylethylenediamine 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: 73.0%

N-(2-(Dibutylamino)ethyl)propionamide (82154-67-4) → n,n-di-n-butylethylenediamine (3529-09-7)

Guidance literature:

With hydrogenchloride; In water; Heating;

DOI:10.1021/jo00199a029

Reference yield:

ethylenediamine (107-15-3,85404-18-8) + butan-1-ol (71-36-3) → C14H32N2 (117194-73-7) + N-butylethylenediamine (19522-69-1) + N,N'-dibutylethylenediamine (4013-95-0) + n,n-di-n-butylethylenediamine (3529-09-7) + N1,N1,N2,N2-tetrabutylethane-1,2-diamine (10411-57-1)

Guidance literature:

With hydrogen; at 200 ℃; for 8h; under 7500.75 Torr; Product distribution / selectivity;

Reference yield:

N,N-dibutyl-glycine nitrile (18071-38-0) → n,n-di-n-butylethylenediamine (3529-09-7)

Guidance literature:

With ethanol; sodium; in Toluol;

DOI:10.1021/ja01220a013

upstream raw materials:

ethyleneimine

dibutylamine hydrochloride

dibutylamine

N,N-dibutyl-glycine nitrile

Downstream raw materials:

7-Chloro-1-[(E)-2-dibutylamino-ethylimino]-10-hydroxy-3-(3-trifluoromethyl-phenyl)-1,3,4,10-tetrahydro-2H-acridin-9-one

1,4-Bis-(2-dibutylamino-ethylamino)-5,8-dihydroxy-anthraquinone

3,4-diphenyl-1H-pyrrole-2,5-dicarboxylic acid bis[(2-dibutylaminoethyl)amide]

N,N'-bis-(2-dibutylaminoethyl)isophthalamide

Refernces

• 1、 Fazio, Michael J.. "Nucleophilic Ring Opening of 2-Oxazolines with Amines: A Convenient Synthesis for Unsymmetrically Substituted Ethylenediamines". . p. 4889 - 4893. Retrieved 2007/10/02.