2-Ethylbutylamine

Base Information

• Chemical Name: 2-Ethylbutylamine
• CAS No.: 617-79-8
• Molecular Formula: C6H15 N
• Molecular Weight: 101.192
• Hs Code.: 2921199090
• European Community (EC) Number: 210-530-6
• UNII: 4MFV23BJBA
• DSSTox Substance ID: DTXSID00210703
• Nikkaji Number: J35.116D
• Wikidata: Q27260115
• Mol file: 617-79-8.mol

Synonyms:2-Ethylbutylamine;617-79-8;2-ethylbutan-1-amine;1-Butanamine, 2-ethyl-;1-Amino-2-ethylbutane;Butylamine, 2-ethyl-;3-(aminomethyl)pentane;2-ETHYL BUTYLAMINE;2-Ethyl-butylamine;(2-ethylbutyl)amine;2-ethyl-1-butylamine;HSDB 2749;EINECS 210-530-6;UNII-4MFV23BJBA;MFCD00040755;4MFV23BJBA;BRN 1731296;3-04-00-00366 (Beilstein Handbook Reference);2-Ethyl-1-butanamine;1-amino-2-ethyl butane;2-Ethyl-1-butanamine #;SCHEMBL104322;(2-ETHYL-N-BUTYL)AMINE;MGWAGIQQTULHGU-UHFFFAOYSA-;DTXSID00210703;2-ethyl-N-butylamine, AldrichCPR;2-ETHYL BUTYLAMINE [HSDB];STR06669;AKOS000131463;LS-47407;FT-0612267;EN300-68836;E89251;Q27260115

Chemical Property of 2-Ethylbutylamine

Chemical Property:

• Appearance/Colour: clear colorless to light yellow liquid
• Vapor Pressure: 16.6mmHg at 25°C
• Melting Point: 20°C
• Refractive Index: 1.4100
• Boiling Point: 125
• PKA: 10.75±0.10(Predicted)
• Flash Point: 14 °C
• PSA: 26.02000
• Density: 0.776
• LogP: 2.08160
• Storage Temp.: Flammables area
• Sensitive.: Air Sensitive
• Water Solubility.: Soluble in water at 25°C 3.83E+04 mg/L.
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 101.120449483
• Heavy Atom Count: 7
• Complexity: 31.2

Purity/Quality:

99% ^*data from raw suppliers

2-Ethylbutylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Flammable, dangerous fire risk. Toxic by ingestion.
• Hazard Codes: C-F,F,C,Xn
• Statements: 34-20/21/22-11-36-22
• Safety Statements: 45-36/37/39-26-16

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Amines, Aliphatic
• Canonical SMILES: CCC(CC)CN
• Uses: Isohexylamine is used in organic syntheses. 2-Ethylbutylamine is used in preparation of Amide-substituted Heterocyclic compounds for the treatment of conditions related to the modulation of IL-12, IL-23 and/or IFN-alpha.

Technology Process of 2-Ethylbutylamine

There total 10 articles about 2-Ethylbutylamine 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: 85.0%

2-Ethylbutanoic acid (88-09-5) → 2-ethyl-N-butylamine (617-79-8) + bis(2-ethylbutyl)amine (54774-85-5) + 2-ethylbutanamide (1114-38-1)

Guidance literature:

2-Ethylbutanoic 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 48h; under 42004.2 Torr; Cooling with ice; Green chemistry;

DOI:10.1039/d0gc01441a

Reference yield: 43.0%

2-Ethylbutanoic acid (88-09-5) → 2-ethyl-N-butylamine (617-79-8) + 2-ethylbutanamide (1114-38-1)

Guidance literature:

2-Ethylbutanoic 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 6.5h; under 42004.2 Torr; Cooling with ice; Green chemistry;

DOI:10.1039/d0gc01441a

Reference yield:

2-ethylbutyraldehyde oxime (5399-18-8) → 2-ethyl-N-butylamine (617-79-8)

Guidance literature:

With ammonium hydroxide; hydrogen; In tetrahydrofuran; at 140 ℃; for 2.25h; under 30003 Torr;

upstream raw materials:

2-ethyl-crotonic acid amide

2-ethyl-butyronitrile

2-ethyl-1-bromobutane

ammonia

Downstream raw materials:

bromo-acetic acid-(2-ethyl-butylamide)

6-(3-chloro-phenylamino)-N-(2-ethyl-butyl)-4-isopropyl-nicotinamide

N-(2-ethylbutyl)cyclohexanamine

C₄₂H₃₆N₂O₆S

Refernces

• 1、 -. "MULTI-AMINE FUNCTIONAL OLIGOMERS AND METHOD FOR PRODUCING THE SAME BY THE REDUCTION OF CORRESPONDING OXIMES". Paragraph 0095. . Retrieved 2013/03/28.