Triheptylamine

Base Information

• Chemical Name: Triheptylamine
• CAS No.: 2411-36-1
• Molecular Formula: C21H45 N
• Molecular Weight: 311.595
• Hs Code.: 29211990
• European Community (EC) Number: 219-316-7
• DSSTox Substance ID: DTXSID0062391
• Nikkaji Number: J121.783F
• Wikidata: Q81990009
• Mol file: 2411-36-1.mol

Synonyms:Triheptylamine;tri-n-Heptylamine;2411-36-1;1-Heptanamine, N,N-diheptyl-;n,n-diheptylheptan-1-amine;EINECS 219-316-7;AI3-24385;Triheptylamine [Reagent for Ion-Pair Chromatography];SCHEMBL36284;Triheptylamine, >=97.0%;1-Heptanamine,N,N-diheptyl-;N,N-Diheptyl-1-heptanamine #;DTXSID0062391;CLZGJKHEVKJLLS-UHFFFAOYSA-;CAA41136;MFCD00041936;AKOS028108500;CS-0204453;FT-0744261;I0361;D91132;J-015349

Chemical Property of Triheptylamine

Chemical Property:

• Appearance/Colour: clear yellow liquid
• Vapor Pressure: 0.000146mmHg at 25°C
• Melting Point: -43.15°C (estimate)
• Refractive Index: n20/D 1.446
• Boiling Point: 332.4°Cat760mmHg
• PKA: 10.46±0.50(Predicted)
• Flash Point: 132.1°C
• PSA: 3.24000
• Density: 0.814g/cm³
• LogP: 7.19960
• XLogP3: 8.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 18
• Exact Mass: 311.355200440
• Heavy Atom Count: 22
• Complexity: 157

Purity/Quality:

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

Triheptylamine [Reagent for Ion-Pair Chromatography] >98.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCN(CCCCCCC)CCCCCCC

Technology Process of Triheptylamine

There total 9 articles about Triheptylamine 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: 90.0%

1-Bromoheptane (629-04-9) → tri-n-heptylamine (2411-36-1)

Guidance literature:

With 5-methyl-1,3,4-thiadiazol-2-amine; potassium hydroxide; In ethanol; water; at 25 ℃; for 1h;

DOI:10.1007/s00706-017-2042-5

Reference yield: 81.0%

1-Heptylamine (111-68-2) → tri-n-heptylamine (2411-36-1)

Guidance literature:

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

DOI:10.1002/adsc.201701522

Reference yield: 80.0%

diheptylamine (2470-68-0) → tri-n-heptylamine (2411-36-1)

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-heptanal oxime

octanol

1-Heptylamine

1-hexene

Downstream raw materials:

N,N,N-triheptyl-hydrazinium; chloride

5-pentyl-2,4-diphenylpyrimidine

Refernces

• 1、 Soleiman-Beigi, Mohammad,Mohammadi, Fariba. "An improved and one-pot procedure to the synthesis of symmetric amines by domino reactions of 5-methyl-1,3,4-thiadiazole-2-amine, a new nitrogen atom donor, and alkyl halides". . p. 2123 - 2128. Retrieved 2017/10/26.
• 2、 Wu, Lipeng,Fleischer, Ivana,Zhang, Min,Liu, Qiang,Franke, Robert,Jackstell, Ralf,Beller, Matthias. "Using aqueous ammonia in hydroaminomethylation reactions: Ruthenium-catalyzed synthesis of tertiary amines". . p. 3260 - 3263. Retrieved 2015/03/03.