Trihexylamine

Base Information

• Chemical Name: Trihexylamine
• CAS No.: 102-86-3
• Deprecated CAS: 45235-09-4
• Molecular Formula: C18H39N
• Molecular Weight: 269.514
• Hs Code.: 29211990
• European Community (EC) Number: 203-062-9,268-224-3
• NSC Number: 409786
• UNII: A9392WA249
• DSSTox Substance ID: DTXSID8059263,DTXSID301022397
• Nikkaji Number: J121.782H
• Wikidata: Q27273788
• Mol file: 102-86-3.mol

Synonyms:Trihexylamine;Tri-n-hexylamine;102-86-3;1-Hexanamine, N,N-dihexyl-;N,N-dihexylhexan-1-amine;N,N-Dihexyl-1-hexanamine;UNII-A9392WA249;EINECS 203-062-9;EINECS 268-224-3;A9392WA249;NSC 409786;NSC-409786;68038-01-7;AI3-16575;trihexylamin-;NSC409786;Tri(hex-1-yl)amine;Trihexylamine, 96%;AMINE,TRIHEXYL;1-Hexanamine,N-dihexyl-;SCHEMBL36579;N,N-Dihexyl-1-hexanamine #;N(CCCCCC)(CCCCCC)CCCCCC;DTXSID8059263;DTXSID301022397;MFCD00009523;AKOS015904366;Trihexylamine, purum, >=97.0% (GC);AS-76668;Trihexylamine, technical, >=95.0% (GC);CS-0314367;FT-0600043;I0360;T0442;D91131;J-000823;J-525119;Q27273788

Chemical Property of Trihexylamine

Chemical Property:

• Appearance/Colour: Colorless to light yellow liquild
• Vapor Pressure: <1 mm Hg ( 20 °C)
• Melting Point: <-75°C
• Refractive Index: n20/D 1.442(lit.)
• Boiling Point: 263.499 °C at 760 mmHg
• PKA: 10.46±0.50(Predicted)
• Flash Point: 116.105 °C
• PSA: 3.24000
• Density: 0.81 g/cm³
• LogP: 6.02930
• Water Solubility.: Slightly miscible with water.
• XLogP3: 7.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 15
• Exact Mass: 269.308250248
• Heavy Atom Count: 19
• Complexity: 127

Purity/Quality:

99.9% ^*data from raw suppliers

Trihexylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,N
• Hazard Codes: Xn,N
• Statements: 22-36/37/38-51/53
• Safety Statements: 26-36-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Amines, Aliphatic
• Canonical SMILES: CCCCCCN(CCCCCC)CCCCCC
• Uses: Tri-n-hexylamine is used as an extractant during isolation and purification of succinic acid from an escherichia coli fermentation broth in pharmaceutical industry. It is also used as an internal standard in screening of human hair specimens for designer drugs by ion mobility spectrometry. Further, it is involved in the synthesis of zinc oxide nanorods. In addition to this, it is used in the preparation of infrared luminescence nanohybrid films.

Technology Process of Trihexylamine

There total 43 articles about Trihexylamine 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: 96.0%

hexan-1-ol (111-27-3) → tri-n-hexylamine (102-86-3)

Guidance literature:

With [Cp*Ir(NH₃)3]I₂; ammonia; In water; at 140 ℃; for 24h; Autoclave; Inert atmosphere;

DOI:10.1021/ja107274w

Reference yield: 94.0%

hexanenitrile (628-73-9) → tri-n-hexylamine (102-86-3)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In cyclohexane; at 25 ℃; for 6h; under 760.051 Torr;

DOI:10.1021/acs.joc.7b01823

Reference yield: 92.0%

2 HCOOH/NHex3 adduct → formic acid (64-18-6) + tri-n-hexylamine (102-86-3)

Guidance literature:

at 160 ℃; under 99.76 Torr;

upstream raw materials:

1-bromo-hexane

dihexylamine

methanol

hexan-1-amine

Downstream raw materials:

hexanenitrile

hexane

N-(4-methylphenyl)hexylamine

1-phenyldecan-3-one

Refernces

• 1、 Ahmed, Moballigh,Seayad, Abdul Majeed,Jackstell, Ralf,Beller, Matthias. "Amines made easily: A highly selective hydroaminomethylation of olefins". . p. 10311 - 10318. Retrieved 2003.
• 2、 Landini, Dario,Maia, Angelamaria,Rampoldi, Alessandro. "Stability of Quaternary Onium Salts under Phase-Transfer Conditions in the Presence of Aqueous Alkaline Solutions". . p. 3187 - 3191. Retrieved 1986.
• 3、 Landini, Dario,Maia, Angelamaria. "Extraction of Highly Hydrophilic Anions in Low Polarity Media under Phase-transfer Catalysis Conditions: Dramatic Enhancement of the OH- Reactivity by Reduction of its Specific Hydration". . p. 1041 - 1042. Retrieved 1984.
• 4、 Furugen, Chikara,Ito, Naoya,Jiang, Jing,Park, Kwihwan,Sajiki, Hironao,Shimizu, Eisho,Yamada, Tsuyoshi. "Highly Selective Hydrogenative Conversion of Nitriles into Tertiary, Secondary, and Primary Amines under Flow Reaction Conditions". . . Retrieved 2021/12/13.
• 5、 Alshakova, Iryna D.,Nikonov, Georgii I.. "Selective Synthesis of Secondary and Tertiary Amines by Reductive N-Alkylation of Nitriles and N-Alkylation of Amines and Ammonium Formate Catalyzed by Ruthenium Complex". . p. 5370 - 5378. Retrieved 2019/06/14.