N,N-DIMETHYL ISOBUTYLAMINE

Base Information

• Chemical Name: N,N-DIMETHYL ISOBUTYLAMINE
• CAS No.: 7239-24-9
• Molecular Formula: C31H43BrO7
• Molecular Weight: 101.192
• European Community (EC) Number: 230-639-2
• UNII: JN2AZR3IC5
• DSSTox Substance ID: DTXSID7064601
• Nikkaji Number: J212.256A
• Wikidata: Q23978434
• Mol file: 7239-24-9.mol

Synonyms:1-Propanamine,N,N,2-trimethyl;Isobutyl-dimethyl-amin;N,N,2-trimethyl-1-propanamine;1-Propanamine, N,N,2-trimethyl-;Isobutylamine,N,N-dimethyl;dimethyl i-butyl amine;N,N-Dimethyl isobutylamine;i-butyl-dimethylamine;isobutyl-dimethyl-amine;

Chemical Property of N,N-DIMETHYL ISOBUTYLAMINE

Chemical Property:

• Vapor Pressure: 5.75E-17mmHg at 25°C
• Melting Point: -102.35°C (estimate)
• Refractive Index: 1.3898
• Boiling Point: 81.8°Cat760mmHg
• PKA: 9.67±0.28(Predicted)
• Flash Point: °C
• PSA: 3.24000
• Density: 0.748g/cm³
• LogP: 1.20400
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 101.120449483
• Heavy Atom Count: 7
• Complexity: 39.4

Purity/Quality:

98%Min ^*data from raw suppliers

N,N-DIMETHYL ISOBUTYLAMINE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)CN(C)C

Technology Process of N,N-DIMETHYL ISOBUTYLAMINE

There total 16 articles about N,N-DIMETHYL ISOBUTYLAMINE 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: 91.0%

2-iodo-propane (75-30-9) + formaldehyd (50-00-0,30525-89-4,61233-19-0) + N,N-dimethylammonium chloride (506-59-2) → N,N-dimethylisobutylamine (7239-24-9)

Guidance literature:

With acetic acid; zinc; copper(l) iodide; In water; dimethyl sulfoxide; at 30 ℃; for 2h;

DOI:10.1016/j.tetlet.2005.08.139

Reference yield: 83.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + isobutylamine (78-81-9) → N,N-dimethylisobutylamine (7239-24-9)

Guidance literature:

With [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂; In hexane; water; at 50 ℃; for 5h;

DOI:10.1002/cssc.201600824

Reference yield: 59.0%

N,N,2-trimethylpropionamide (21678-37-5) → N,N-dimethylisobutylamine (7239-24-9)

Guidance literature:

N,N,2-trimethylpropionamide; 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

upstream raw materials:

isobutyltrimethylammonium

isobutyl-trimethyl-ammonium; chloride

formaldehyd

isobutylamine

Downstream raw materials:

isobutyraldehyde

Refernces

• 1、 van der Waals, Dominic,Heim, Leo. E.,Gedig, Christian,Herbrik, Fabian,Vallazza, Simona,Prechtl, Martin H. G.. "Ruthenium-Catalyzed Methylation of Amines with Paraformaldehyde in Water under Mild Conditions". . p. 2343 - 2347. Retrieved 2016/10/24.
• 2、 Park, Sehoon,Brookhart, Maurice. "Development and mechanistic investigation of a highly efficient iridium(V) silyl complex for the reduction of tertiary amides to amines". experimental part. p. 640 - 653. Retrieved 2012/03/13.