Dioctylamine

Base Information

• Chemical Name: Dioctylamine
• CAS No.: 1120-48-5
• Deprecated CAS: 52550-92-2
• Molecular Formula: C16H35N
• Molecular Weight: 241.461
• Hs Code.: 29211990
• European Community (EC) Number: 214-311-6
• NSC Number: 1765
• UNII: A7HM3062RM
• DSSTox Substance ID: DTXSID2061517
• Nikkaji Number: J97.654G
• Wikidata: Q26840935
• Mol file: 1120-48-5.mol

Synonyms:Dioctylamine;1120-48-5;Di-n-octylamine;N-octyloctan-1-amine;1-Octanamine, N-octyl-;N-n-Octyl-n-octylamine;N-octyl-1-octanamine;RC 5632;N,N-Dioctylamine;UNII-A7HM3062RM;A7HM3062RM;NSC 1765;NSC-1765;EINECS 214-311-6;AI3-15029;EC 214-311-6;dioctyl-amine;NSC1765;di-Normal-octylamine;MFCD00009557;Dioctylamine, 97%;N,N-Dioctylamine #;NCIOpen2_007802;SCHEMBL36689;WLN: 8M8;DTXSID2061517;CHEBI:132284;AMY21918;BAA12048;AKOS015915432;RC-5632;BP-31177;CS-15670;CS-0020010;D0274;FT-0625194;W18291;EN300-1228920;A802473;J-002696;Q26840935;F0001-0264;D22

Chemical Property of Dioctylamine

Chemical Property:

• Appearance/Colour: colourless to light yellow liquid
• Vapor Pressure: 0.01 mm Hg ( 20 °C)
• Melting Point: 13-16 °C(lit.)
• Refractive Index: n20/D 1.4432(lit.)
• Boiling Point: 297.5 °C at 760 mmHg
• PKA: 11.10±0.19(Predicted)
• Flash Point: 126.8 °C
• PSA: 12.03000
• Density: 0.8 g/cm³
• LogP: 5.68790
• Storage Temp.: 2-8°C(protect from light)
• Water Solubility.: immiscible
• XLogP3: 6.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 14
• Exact Mass: 241.276950121
• Heavy Atom Count: 17
• Complexity: 109

Purity/Quality:

99% ^*data from raw suppliers

Dioctylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi; C; N
• Hazard Codes: C,N,Xi
• Statements: 22-34-50/53-36/37/38
• Safety Statements: 26-36/37/39-45-60-61-29-36

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Amines, Aliphatic
• Canonical SMILES: CCCCCCCCNCCCCCCCC
• Uses: Di-n-octylamine can be used as intermediate for the preparation of antistatic agent, softener, surfactant and it is also used as metal extraction agent and amine solvent. In addition, it can be used to get octanal. Dioctylamine can be used as a reactant in the synthesis of: Ionic liquids based on the tetra-alkyl-dimethylguanidinium cation N-(2,5-di-tert-butylphenyl)perylene-3,4-dicarboximide based perylene photosensitizers.It can be also employed as a surfactant in the shape-controlled synthesis of some nanoparticles.

Technology Process of Dioctylamine

There total 101 articles about Dioctylamine 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%

caprylnitrile (124-12-9) → Tri-n-octylamine (1116-76-3) + n-dioctylamine (1120-48-5)

Guidance literature:

With 10% rhodium on carbon; hydrogen; In cyclohexane; at 50 ℃; Flow reactor;

DOI:10.1002/cssc.202102138

Reference yield: 76.0%

Octanoic acid (124-07-2) → n-Octylamine (111-86-4) + octane (111-65-9) + n-dioctylamine (1120-48-5) + Octansaeure-N-octylamid (42886-89-5) + n-octanamide (629-01-6)

Guidance literature:

Octanoic 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; Reagent/catalyst; Cooling with ice; Green chemistry;

DOI:10.1039/d0gc01441a

Reference yield: 76.0%

methyl octanate (111-11-5) → n-Octylamine (111-86-4) + octane (111-65-9) + n-dioctylamine (1120-48-5) + Octansaeure-N-octylamid (42886-89-5) + n-octanamide (629-01-6)

Guidance literature:

methyl octanate; 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

upstream raw materials:

n-Octylamine

n-chlorooctane

1-Iodooctane

1-bromo-octane

Downstream raw materials:

1-(2-chloro-phenoxy)-3-dioctylamino-propan-2-ol

Tri-n-octylamine

N,N-dioctyl-glycine

Dioctylcyanamide

Refernces

• 1、 Hoerr,Harwood,Ralston. "-". . . Retrieved 1946.
• 2、 Vermaak, Vincent,Vosloo, Hermanus C.M.,Swarts, Andrew J.. "Chemoselective transfer hydrogenation of nitriles to secondary amines with nickel(II) catalysts". . . Retrieved 2021/07/25.
• 3、 Coeck, Robin,De Vos, Dirk E.. "One-pot reductive amination of carboxylic acids: a sustainable method for primary amine synthesis". supporting information. p. 5105 - 5114. Retrieved 2020/08/25.