1-Butanamine, 2-methyl-N-(2-methylbutyl)-

Base Information

• Chemical Name: 1-Butanamine, 2-methyl-N-(2-methylbutyl)-
• CAS No.: 27094-65-1
• Molecular Formula: C₁₀H₂₃N
• Molecular Weight: 157.299
• DSSTox Substance ID: DTXSID00885379
• Nikkaji Number: J38.097K
• Mol file: 27094-65-1.mol

Synonyms:27094-65-1;1-Butanamine, 2-methyl-N-(2-methylbutyl)-;N-(2-methylbutyl)-2-methyl-1-butanamine;bis-(2-Methylbutyl)amine;SCHEMBL276134;DTXSID00885379;GNSBJLGFTFJIAC-UHFFFAOYSA-N;AKOS011989331;NS00050078

Chemical Property of 1-Butanamine, 2-methyl-N-(2-methylbutyl)-

Chemical Property:

• Vapor Pressure: 0.784mmHg at 25°C
• Boiling Point: 181.4°Cat760mmHg
• Flash Point: 45.7°C
• PSA: 12.03000
• Density: 0.774g/cm³
• LogP: 3.05910
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 157.183049738
• Heavy Atom Count: 11
• Complexity: 70.9

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)CNCC(C)CC

Technology Process of 1-Butanamine, 2-methyl-N-(2-methylbutyl)-

There total 5 articles about 1-Butanamine, 2-methyl-N-(2-methylbutyl)- 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: 90.0%

2-Methylbutanoic acid (116-53-0,600-07-7) → bis(2-methylbutyl)amine (27094-65-1,627-81-6) + 2-Methylbutylamine (96-15-1) + sec-butylamide (1113-57-1)

Guidance literature:

2-Methylbutanoic acid; With cyclopentyl methyl ether; ammonia; at 200 ℃; under 4500.45 Torr; Sealed tube; Green chemistry;

With cyclopentyl methyl ether; ammonia; hydrogen; at 200 ℃; for 16h; under 42004.2 Torr; Cooling with ice; Green chemistry;

DOI:10.1039/d0gc01441a

Reference yield:

(+/-)-2-methyl-1-butanol (137-32-6) → bis(2-methylbutyl)amine (27094-65-1,627-81-6) + 2-Methylbutylamine (96-15-1)

Guidance literature:

With chlorocyclopentadienylbis(triphenylphosphine)ruthenium(II); urea; diphenylphosphinopropane; In diethylene glycol dimethyl ether; at 160 ℃; for 12h; Autoclave; Inert atmosphere;

DOI:10.1080/00958972.2020.1804058

Reference yield:

(+/-)-2-methyl-1-butanol (137-32-6) → bis(2-methylbutyl)amine (27094-65-1,627-81-6)

Guidance literature:

With alumina hydrate; ammonia; at 400 ℃; under 147102 Torr;

upstream raw materials:

(2-methyl-but-1-enyl)-(2-methyl-butyliden)-amine

(+/-)-2-methyl-1-butanol

(2S)-2-methyl-1-butanol

2-Methylbutanoic acid

Downstream raw materials:

tri-pentyl-amine