Diisobutylamine

Base Information

• Chemical Name: Diisobutylamine
• CAS No.: 110-96-3
• Molecular Formula: C8H19N
• Molecular Weight: 129.246
• Hs Code.: 29211990
• European Community (EC) Number: 203-819-3
• ICSC Number: 1442
• UN Number: 2361
• UNII: T18Y0A819S
• DSSTox Substance ID: DTXSID5025079
• Nikkaji Number: J43.435C
• Wikipedia: Diisobutylamine
• Wikidata: Q23978431
• ChEMBL ID: CHEMBL3187581
• Mol file: 110-96-3.mol

Synonyms:Diisobutylamine;110-96-3;1-Propanamine, 2-methyl-N-(2-methylpropyl)-;bis(2-methylpropyl)amine;Amine, diisobutyl-;Bis(beta-methylpropyl)amine;di-isobutylamine;N,N-BIS(2-METHYLPROPYL)AMINE;diisobutyl-amine;HSDB 5543;Di(-2-methylpropyl)amine;2-Methyl-N-(2-methylpropyl)-1-propanamine;2-methyl-N-(2-methylpropyl)propan-1-amine;EINECS 203-819-3;UN2361;UNII-T18Y0A819S;(i-C4H9)2NH;BRN 1209251;CCRIS 6232;AI3-15330;DI-ISO-BUTYLAMINE;DTXSID5025079;T18Y0A819S;N-isobutyl-2-methylpropan-1-amine;MFCD00008930;disec-butylamine;diisobutylamin;Diisobutilamina;di-i-butylamine;diisobutyl amine;Di-iso-butilamina;N,N-diisobutylamine;Diisobutylamine, 99%;DBU (CHRIS Code);Diisobutylamine (6CI8CI);SCHEMBL64203;N N-Bis(2-methylpropyl)amine;DTXCID205079;CHEMBL3187581;N, N-bis (2-metilpropil) amina;STR04304;Tox21_200177;LS-521;NA2361;STL183306;AKOS000227246;N-Isobutyl-2-methyl-1-propanamine #;UN 2361;NCGC00248551-01;NCGC00257731-01;CAS-110-96-3;1-propanamina, 2-metil-N-(2-metilpropil)-;D0614;FT-0624984;N,N-BIS(2-METHYLPROPYL)AMINE [HSDB];Diisobutylamine [UN2361] [Flammable liquid];EN300-18803;Diisobutylamine [UN2361] [Flammable liquid];J-002492;Q23978431;F2190-0306

Chemical Property of Diisobutylamine

Chemical Property:

• Appearance/Colour: clear colorless liquid with an ammonia-like odor
• Vapor Pressure: 7.07mmHg at 25°C
• Melting Point: -77 °C
• Refractive Index: n20/D 1.4081(lit.)
• Boiling Point: 140.5 °C at 760 mmHg
• PKA: 11.07±0.28(Predicted)
• Flash Point: 29.4 °C
• PSA: 12.03000
• Density: 0.759 g/cm³
• LogP: 2.27890
• Storage Temp.: Flammables area
• Sensitive.: Air Sensitive
• Solubility.: insoluble to slightly soluble in water; soluble in ethanol, methanol, ethyl ether, ethyl acetate, acetone, benzene, aromatic and aliphatic hydrocarbons, fixed oils, mineral oil, oleic and stearic acids
• Water Solubility.: 5 g/L (20 ºC)
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 129.151749610
• Heavy Atom Count: 9
• Complexity: 49.6
• Transport DOT Label: Flammable Liquid Corrosive

Purity/Quality:

99% ^*data from raw suppliers

Diisobutylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 10-22-34-52/53
• Safety Statements: 26-36/37/39-45-25-16-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Amines, Aliphatic
• Canonical SMILES: CC(C)CNCC(C)C
• Inhalation Risk: No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
• Effects of Short Term Exposure: The substance is corrosive to the eyes, skin and respiratory tract. Corrosive on ingestion. Contact of the vapour with the eyes may cause visual disturbances. Exposure could cause asphyxiation due to swelling in the throat. Inhalation of high concentrations may cause lung oedema, but only after initial corrosive effects on the eyes and the upper respiratory tract have become manifest.
• Effects of Long Term Exposure: Repeated or prolonged contact with skin may cause dermatitis.
• Uses: Diisobutylamine was used to study the effect of achiral amine on hydrogenation of ethyl pyruvate over cinchonidine-Pt/Al2O3 catalyst system.

Technology Process of Diisobutylamine

There total 49 articles about Diisobutylamine 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,N-diisobutylhydrazine (16596-38-6) + β-naphthol (135-19-3) → diisobutylamine (110-96-3) + 1-amino-2-naphthol (2834-92-6)

Guidance literature:

In ethylene glycol; at 80 ℃; regioselective reaction; Inert atmosphere;

DOI:10.1021/acs.joc.8b00421

Reference yield: 50.0%

L-valine (72-18-4,25609-85-2,7004-03-7,921-10-8) → diisobutylamine (110-96-3) + isobutylamine (78-81-9) + 2-amino-3-methylbutane (598-74-3)

Guidance literature:

L-valine; With cyclopentyl methyl ether; ammonia; at 200 ℃; under 4500.45 Torr; Sealed tube; Green chemistry;

With cyclopentyl methyl ether; ammonia; hydrogen; at 200 ℃; for 6.5h; under 42004.2 Torr; Cooling with ice; Green chemistry;

DOI:10.1039/d0gc01441a

Reference yield: 19.9%

isobutyraldehyde (78-84-2) → diisobutylamine (110-96-3) + Isobutyronitrile (78-82-0) + triisobutylamine (1116-40-1) + N-isobutylideneisobutylamine (6898-82-4) + isobutylamine (78-81-9)

Guidance literature:

With ammonia; hydrogen; palladium on activated charcoal; at 180 ℃; under 760 Torr; Product distribution; Mechanism; other catalyst, temperature;;

upstream raw materials:

nitrous acid isobutyl ester

2,5-dimethyl-2-nitro-hexane

2-methyl-propan-1-ol

isobutyraldehyde

Downstream raw materials:

2-(diisobutylamino)ethanol

2-Diisobutylamino-ethylmercaptan

diisobutyl-(2-pyridin-2-yl-ethyl)-amine

(1S,2S)-N-<(2-Hydroxy-2-phenyl)-1-methyl-ethyl>-N-methylacetamid

Refernces

• 1、 Jia, Lei,Tang, Qiang,Luo, Meiming,Zeng, Xiaoming. "Direct ortho-Selective Amination of 2-Naphthol and Its Analogues with Hydrazines". . p. 5082 - 5091. Retrieved 2018/05/15.
• 2、 Popov, Yu. V.,Mokhov,Latyshova,Nebykov,Panov,Pletneva, M. Yu.. "Colloid and nanosized catalysts in organic synthesis: XVI.1 Continuous hydrogenation of carbonitriles catalyzed by nickel nanoparticles applied on a support". . p. 2276 - 2281. Retrieved 2017/11/24.