Triisopentylamine

Base Information

• Chemical Name: Triisopentylamine
• CAS No.: 645-41-0
• Molecular Formula: C15H33N
• Molecular Weight: 227.434
• European Community (EC) Number: 211-441-5
• DSSTox Substance ID: DTXSID9060946
• Nikkaji Number: J121.778J
• Wikidata: Q72513608
• Mol file: 645-41-0.mol

Synonyms:Triisopentylamine;Triisoamylamine;645-41-0;Tris(3-methylbutyl)amine;1-Butanamine, 3-methyl-N,N-bis(3-methylbutyl)-;3-methyl-N,N-bis(3-methylbutyl)butan-1-amine;EINECS 211-441-5;AI3-16695;Tri-isoamylamin;Tri(3-methylbutyl)amine;Triisopentylamine, >=95%;tris-(3-methyl-butyl)-amine;SCHEMBL472095;DTXSID9060946;MFCD00015054;AKOS025295585;AS-17893;N,N-Diisopentyl-3-methyl-1-butanamine #;Triisopentylamine, technical, >=90% (GC);CS-0454516;FT-0746937;T0455

Chemical Property of Triisopentylamine

Chemical Property:

• Vapor Pressure: 0.0436mmHg at 25°C
• Melting Point: -61.15°C (estimate)
• Refractive Index: n20/D 1.433
• Boiling Point: 238 °C at 760 mmHg
• PKA: 9.99±0.50(Predicted)
• Flash Point: 84.1 °C
• PSA: 3.24000
• Density: 0.799 g/cm³
• LogP: 4.42670
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 9
• Exact Mass: 227.261300057
• Heavy Atom Count: 16
• Complexity: 121

Purity/Quality:

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

Triisoamylamine ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Amines, Aliphatic
• Canonical SMILES: CC(C)CCN(CCC(C)C)CCC(C)C

Technology Process of Triisopentylamine

There total 27 articles about Triisopentylamine 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: 100.0%

Isovaleronitrile (625-28-5) → triisoamylamine (645-41-0)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In cyclohexane; at 40 ℃; for 24h; under 760.051 Torr;

DOI:10.1021/acs.joc.7b01823

Reference yield: 88.0%

isovaleraldehyde (590-86-3) → triisoamylamine (645-41-0)

Guidance literature:

With 5%-palladium/activated carbon; ammonia; hydrogen; In ethanol; at 50 ℃; for 8h; under 1125.11 Torr; Solvent; Temperature; Pressure;

Reference yield: 71.0%

3-methyl-N-(3-methylbutyl)-1-butanamine (544-00-3) → triisoamylamine (645-41-0)

Guidance literature:

With Co₂Rh₂/C; In toluene; at 180 ℃; for 18h; under 760.051 Torr; Autoclave; Inert atmosphere;

DOI:10.1002/adsc.201701522

upstream raw materials:

1-amino-3-methylbutane

3-methyl-N-(3-methylbutyl)-1-butanamine

1-chloro-3-methylbutane

Tetra-i-amylammonium

Downstream raw materials:

tetra-i-pentylammonium iodide

2-methyl-but-2-ene

Isovaleronitrile

triisopentyl (3-(trifluoromethyl)benzyl) ammonium chloride

Refernces

• 1、 Chung, Hyunho,Han, Seulgi,Chung, Young Keun,Park, Ji Hoon. "Conversion of Primary Amines to Symmetrical Secondary and Tertiary Amines using a Co-Rh Heterobimetallic Nanocatalyst". supporting information. p. 1267 - 1272. Retrieved 2018/02/12.
• 2、 -. "A method of manufacturing a tertiary amine". Paragraph 0025; 0026; 0030. . Retrieved 2016/12/16.