2-Aminooctane

Base Information

• Chemical Name: 2-Aminooctane
• CAS No.: 693-16-3
• Deprecated CAS: 44855-57-4
• Molecular Formula: C₈H₁₉N
• Molecular Weight: 129.246
• European Community (EC) Number: 211-744-2
• NSC Number: 76546
• UNII: D03DJ7LZBE
• DSSTox Substance ID: DTXSID4022103
• Nikkaji Number: J47.185B
• Wikidata: Q5651241
• Mol file: 693-16-3.mol

Synonyms:2-Aminooctane;octan-2-amine;693-16-3;2-Octanamine;2-Octylamine;1-METHYLHEPTYLAMINE;Heptylamine, 1-methyl-;2-Caprylamine;sec-Octylamine;1-methyl heptylamine;EINECS 211-744-2;UNII-D03DJ7LZBE;NSC 76546;D03DJ7LZBE;BRN 1719318;AI3-11521;(+/-)-2-AMINOOCTANE;NSC-76546;2-amino-octane;NSC76546;1-methylheptyl amine;racemic 2-octylamine;(?)-2-Aminooctane;1-Amino-1-methyl heptane;(RS)-2-OCTYLAMINE;SCHEMBL221810;2-Octanamine, (.+/-.)-;DTXSID4022103;(+/-)-2-OCTANAMINE;(+/-)-2-OCTYLAMINE;(RS)-1-METHYLHEPTYLAMINE;AMY21971;MFCD00008103;AKOS000120228;AKOS016843915;SB45078;SB45081;BS-42239;LS-74730;CS-0454973;FT-0605044;FT-0605251;FT-0611256;M0337;EN300-20180;Q5651241;Z104477186

Chemical Property of 2-Aminooctane

Chemical Property:

• Appearance/Colour: clear colourless to slightly yellow liquid
• Vapor Pressure: 2.01mmHg at 25°C
• Melting Point: 11.43°C (estimate)
• Refractive Index: n20/D 1.4235(lit.)
• Boiling Point: 164 °C at 760 mmHg
• Flash Point: 50.6 °C
• PSA: 26.02000
• Density: 0.784 g/cm³
• LogP: 3.00430
• Storage Temp.: Flammables area
• Sensitive.: Air Sensitive
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 129.151749610
• Heavy Atom Count: 9
• Complexity: 52.5

Purity/Quality:

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

2-Aminooctane >98.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCC(C)N

Technology Process of 2-Aminooctane

There total 65 articles about 2-Aminooctane 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: 98.0%

rac-octan-2-ol (4128-31-8,113301-48-7,4128-32-9) → octane (111-65-9) + rac-2-aminooctane (44855-57-4,693-16-3)

Guidance literature:

rac-octan-2-ol; 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: 96.0%

2,2,2-trifluoro-N-(octan-2-yl)acetamide (51241-64-6) → rac-2-aminooctane (44855-57-4,693-16-3)

Guidance literature:

With sodium tetrahydroborate; In ethanol; at 20 ℃; for 1h;

DOI:10.1055/s-1984-31028

Reference yield: 95.0%

hexyl-methyl-ketone (111-13-7) → rac-2-aminooctane (44855-57-4,693-16-3)

Guidance literature:

With ammonia; hydrogen; In methanol; at 30 ℃; for 10h; Autoclave;

DOI:10.1021/acscatal.0c01872

upstream raw materials:

octan-2-one oxime

2-iodooctane

2-nitrooctane

2-methylheptanal

Downstream raw materials:

(1-methyl-heptyl)-hydrazine

2-Methoxy-4-{[(E)-1-methyl-heptylimino]-methyl}-phenol

(1-Methyl-heptyl)-[(E)-3-phenyl-prop-2-en-(E)-ylidene]-amine

1-amino-9,10-anthracenedione

Refernces

• 1、 Dai, Zengjin,Pan, Ying-Min,Wang, Shou-Guo,Yin, Qin,Zhang, Xumu. "Direct reductive amination of ketones with ammonium salt catalysed by Cp*Ir(iii) complexes bearing an amidato ligand". supporting information. p. 8934 - 8939. Retrieved 2021/11/04.
• 2、 Ma, Senjie,Hill, Christopher K.,Olen, Casey L.,Hartwig, John F.. "Ruthenium-Catalyzed Hydroamination of Unactivated Terminal Alkenes with Stoichiometric Amounts of Alkene and an Ammonia Surrogate by Sequential Oxidation and Reduction". supporting information. p. 359 - 368. Retrieved 2021/01/13.