N,N-Dimethylbutylamine

Base Information

• Chemical Name: N,N-Dimethylbutylamine
• CAS No.: 927-62-8
• Molecular Formula: C6H15N
• Molecular Weight: 101.192
• Hs Code.: 29211990
• European Community (EC) Number: 213-156-1
• UN Number: 2734
• UNII: O0BL4Z8J3H
• DSSTox Substance ID: DTXSID8047472
• Nikkaji Number: J43.087K
• Wikidata: Q23993507
• Metabolomics Workbench ID: 60353
• ChEMBL ID: CHEMBL2448977
• Mol file: 927-62-8.mol

Synonyms:N,N-Dimethylbutylamine;927-62-8;N-n-Butyldimethylamine;Butyldimethylamine;Dimethylbutylamine;1-Butanamine, N,N-dimethyl-;N,N-dimethylbutan-1-amine;N-Butyldimethylamine;N,N-Dimethyl-1-butanamine;Butylamine, N,N-dimethyl-;(Dimethylamino)butane;butyl-dimethyl-amine;n-C4H9N(CH3)2;AR 84996;N,N-DIMETHYL-N-BUTYLAMINE;EINECS 213-156-1;UNII-O0BL4Z8J3H;O0BL4Z8J3H;1-(N,N-Dimethylamino)butane;DTXSID8047472;CHEBI:59023;EC 213-156-1;N,N-Dimethylaminobutane;dimethylaminobutane;n,n-butyldimethylamine;dimethyl(n-butyl)amine;n,n-dimethyl butylamine;SCHEMBL12592;Dimethyl-1-butanamine, N,N-;N,N-Dimethylbutylamine, 99%;CHEMBL2448977;DTXCID6027472;AMY25818;Tox21_303901;MFCD00043838;AKOS015850715;NCGC00357270-01;CAS-927-62-8;LS-45570;Butylamine, N,N-dimethyl- (6CI,7CI,8CI);D1506;FT-0629524;Q23993507;[1R-(1alpha,2beta,5alpha)]-2-isopropyl-5-methylcyclohexyl5-oxo-L-prolinate

Chemical Property of N,N-Dimethylbutylamine

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 44.6mmHg at 25°C
• Melting Point: -60 °C
• Refractive Index: n20/D 1.398(lit.)
• Boiling Point: 95.9 °C at 760 mmHg
• PKA: 9.83±0.28(Predicted)
• Flash Point: 25°F
• PSA: 3.24000
• Density: 0.75 g/cm³
• LogP: 1.34810
• Water Solubility.: 3.4 g/100 mL (20 ºC)
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 101.120449483
• Heavy Atom Count: 7
• Complexity: 33.2
• Transport DOT Label: Corrosive Flammable Liquid

Purity/Quality:

99% ^*data from raw suppliers

N,N-Dimethylbutylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,C
• Hazard Codes: F,C
• Statements: 11-20/22-34
• Safety Statements: 26-36/37/39-45-16

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Amines, Aliphatic
• Canonical SMILES: CCCCN(C)C
• Uses: Dimethylbutylamine is used as a chemical intermediate. N,N-Dimethylbutylamine (cas# 927-62-8) is in preparation of high-density rigid flame-retardant polyimide foam material. N,N-Dimethylbutylamine is suitable for use in the fabrication of polystyrene-based nano-LC monolithic columns for the separation of protein molecules. It may be used as ion-pairing reagent in a study involving comparison of performance of six ion-pairing reagents as mobile phase modifiers for oligonucleotide LC/MS.

Technology Process of N,N-Dimethylbutylamine

There total 42 articles about N,N-Dimethylbutylamine 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: 97.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + N-butylamine (109-73-9,85404-21-3) → N,N-dimethylbutylamine (927-62-8)

Guidance literature:

With acetic acid; at 30 ℃; for 2h;

DOI:10.1016/j.tetlet.2007.08.092

Reference yield: 55.0%

N,N-dimethylbutyramide (760-79-2) → N,N-dimethylbutylamine (927-62-8)

Guidance literature:

N,N-dimethylbutyramide; With bis(cyclopentadienyl)dihydrozirconium; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane; at 20 ℃; Glovebox; Inert atmosphere;

With hydrogenchloride; In diethyl ether; water; for 2h; Glovebox; Inert atmosphere;

DOI:10.1016/S1872-2067(21)63853-6

Reference yield: 8.0%

N-n-butyl-N-methylamine (110-68-9) → tributyl-amine (102-82-9) + N,N-dimethylbutylamine (927-62-8)

Guidance literature:

palladium; at 160 ℃; for 5h;

DOI:10.1021/ja00353a025

upstream raw materials:

formaldehyd

n-butylamine hydrochloride

N,N,N-trimethylbutylamine ion

N,N-dimethylbutyramide

Downstream raw materials:

butyl-[2-(4-hydroxy-phenoxy)-ethyl]-dimethyl-ammonium; bromide

butyl-dimethyl-(2-phenoxy-ethyl)-ammonium; bromide

(2-Benzhydryloxy-ethyl)-butyl-dimethyl-ammonium; bromide

Butyl-(3-carbamoyl-3,3-diphenyl-propyl)-dimethyl-ammonium; bromide

Refernces

• 1、 Han, Bo,Jiao, Haijun,Wu, Lipeng,Zhang, Jiong. "Zirconium-hydride-catalyzed site-selective hydroboration of amides for the synthesis of amines: Mechanism, scope, and application". . p. 2059 - 2067. Retrieved 2021/09/02.
• 2、 Bai, Peng,Li, Jiacong,Tong, Xinli,Wang, Shun,Zhang, Haigang,Zhang, Ming. "The selective reductive amination of aliphatic aldehydes and cycloaliphatic ketones with tetragonal zirconium dioxide as the heterogeneous catalyst". . . Retrieved 2020/07/17.