N-Methylisobutylamine

Base Information

• Chemical Name: N-Methylisobutylamine
• CAS No.: 625-43-4
• Molecular Formula: C5H13N
• Molecular Weight: 87.1649
• Hs Code.: 2921199090
• European Community (EC) Number: 210-893-0
• UNII: X408YTO5HA
• DSSTox Substance ID: DTXSID0060802
• Nikkaji Number: J96.123J
• Wikidata: Q72492155
• Mol file: 625-43-4.mol

Synonyms:N-METHYLISOBUTYLAMINE;625-43-4;N,2-Dimethylpropylamine;1-Propanamine, N,2-dimethyl-;N,2-dimethylpropan-1-amine;N-Isobutylmethylamine;methyl(2-methylpropyl)amine;Isobutylmethylamine;Propylamine, N,2-dimethyl-;X408YTO5HA;EINECS 210-893-0;Methylisobutylamine;N-isobutyl-N-methylamine;Methyl-isobutyl-amin;isobutyl methyl amine;isobutyl(methyl)amine;isobutyl-methyl-amine;N-isobutyl-methylamine;N-methylisobutyl amine;N-Methyl-Isobutylamine;N-isobutyl-methyl-amine;N-i-butyl-N-methylamine;UNII-X408YTO5HA;N,2-Dimethyl-1-propanamine #;DTXSID0060802;2-Methyl-1-(methylamino)propane;N-Methyl-2-methyl-1-propanamine;STR05611;MFCD00015043;AKOS000132552;N,2-Dimethyl-1-propanamine, AldrichCPR;FT-0647448;M0691;EN300-35050;n,2-dimethyl-1-propanamin

Chemical Property of N-Methylisobutylamine

Chemical Property:

• Vapor Pressure: 116mmHg at 25°C
• Melting Point: -75°C (estimate)
• Refractive Index: 1.3950 to 1.3970
• Boiling Point: 73 °C at 760 mmHg
• PKA: 10.76±0.20(Predicted)
• PSA: 12.03000
• Density: 0.724 g/cm³
• LogP: 1.25270
• Water Solubility.: Miscible with water.
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 87.104799419
• Heavy Atom Count: 6
• Complexity: 25.1

Purity/Quality:

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

N-Methylisobutylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 11-34-52-41-37/38-22
• Safety Statements: 26-36/37/39-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CNC
• Uses: N-Methylisobutylamine is used as an pharmaceutical intermediate.

Technology Process of N-Methylisobutylamine

There total 17 articles about N-Methylisobutylamine 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: 67.0%

N-isobutylidenemethylamine (6898-70-0) → 2-methylpropyl(methyl)amine (625-43-4)

Guidance literature:

With hydrogen; platinum(IV) oxide; In ethanol;

DOI:10.1002/ardp.19843170306

Reference yield: 21.0%

propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) + dimethyl amine (124-40-3) → 2-methylpropyl(methyl)amine (625-43-4)

Guidance literature:

pentakis(dimethylamido)niobium; In toluene; at 160 ℃; for 24h;

DOI:10.1055/s-1980-29002

Reference yield:

N-isobutylformamide (6281-96-5) → 2-methylpropyl(methyl)amine (625-43-4)

Guidance literature:

With hydrogen; In 1,2-dimethoxyethane; at 160 ℃; for 20h; under 22502.3 Torr; Inert atmosphere; Autoclave; Molecular sieve;

DOI:10.1002/anie.201207803

upstream raw materials:

isobutyraldehyde

methylamine

benzylideneisobutylamine

methyl iodide

Downstream raw materials:

N-nitroso-N-methylisobutylamine

3-(2,4-Dimethyl-phenyl)-1-isobutyl-1-methyl-thiourea

3-(4-Bromo-2-methyl-phenyl)-1-isobutyl-1-methyl-thiourea

1-methyl-1-isobutyl-3-(2-methyl-4-chlorophenyl)-thiourea

Refernces

• 1、 Stein, Mario,Breit, Bernhard. "Catalytic hydrogenation of amides to amines under mild conditions". supporting information. p. 2231 - 2234. Retrieved 2013/03/28.
• 2、 -. "Preparation process of aminoacetamide derivative". . . Retrieved 2008/06/13.