N,N-Dimethylheptylamine

Base Information

• Chemical Name: N,N-Dimethylheptylamine
• CAS No.: 5277-11-2
• Molecular Formula: C9H21 N
• Molecular Weight: 143.272
• Hs Code.: 2921199090
• European Community (EC) Number: 226-100-6
• UNII: 847WT67AJE
• DSSTox Substance ID: DTXSID10200751
• Nikkaji Number: J297.974H
• Wikidata: Q83073920
• Mol file: 5277-11-2.mol

Synonyms:N,N-dimethylheptan-1-amine;N,N-Dimethylheptylamine;5277-11-2;Dimethylheptylamine;heptyldimethylamine;N,N-Dimethyl-1-heptanamine;1-Heptanamine, N,N-dimethyl-;1-(Dimethylamino)heptane;847WT67AJE;Dimethylheptylamin;dimethylheptyl amine;Dimethyl(n-heptyl)amine;starbld0004206;UNII-847WT67AJE;SCHEMBL284680;N,N-Dimethyl-1-heptanamine #;DTXSID10200751;EINECS 226-100-6;STL453823;AKOS024390974;EN300-7304888

Chemical Property of N,N-Dimethylheptylamine

Chemical Property:

• Vapor Pressure: 1.49mmHg at 25°C
• Melting Point: -77.7°C (estimate)
• Refractive Index: n20/D 1.421
• Boiling Point: 170.1°Cat760mmHg
• Flash Point: 47.8°C
• PSA: 3.24000
• Density: 0.777g/cm³
• LogP: 2.51840
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 143.167399674
• Heavy Atom Count: 10
• Complexity: 59.7

Purity/Quality:

99% ^*data from raw suppliers

N,N-DIMETHYLHEPTYLAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 10-34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCN(C)C

Technology Process of N,N-Dimethylheptylamine

There total 2 articles about N,N-Dimethylheptylamine 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: 2.0%

1-hexene (592-41-6,25067-06-5) + bis-(dimethylamino)methane (51-80-9) → N,N-dimethylheptylamine (5277-11-2) + N-methylheptylamine (36343-05-2)

Guidance literature:

With sulfuric acid; In acetic acid; Yield given; 1.) 140 deg C, 1 h, 2.) 180 deg C, 1 h;

DOI:10.1021/jo00172a018

Reference yield:

1-hexene (592-41-6,25067-06-5) + Methyl formate (107-31-3) + dimethyl amine (124-40-3) → N,N-dimethylheptylamine (5277-11-2) + hexane (110-54-3)

Guidance literature:

With acetylacetonatodicarbonylrhodium(l); dodecacarbonyl-triangulo-triruthenium; water; triphenylphosphine; In N,N-dimethyl-formamide; at 170 ℃; for 6h; Autoclave; Green chemistry;

DOI:10.1039/c3cy00862b

Reference yield:

N,N-dimethylheptylamine (5277-11-2) → N-methylheptylamine (36343-05-2)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether

2: sulfuric acid; alcohol

With diethyl ether; ethanol; sulfuric acid;

upstream raw materials:

1-hexene

bis-(dimethylamino)methane

Methyl formate

dimethyl amine

Downstream raw materials:

[2-(4-chloro-phenoxy)-ethyl]-heptyl-dimethyl-ammonium; bromide

[2-(2-chloro-phenoxy)-ethyl]-heptyl-dimethyl-ammonium; bromide

heptyl-methyl-carbamonitrile

heptyl-dimethyl-(2-phenoxy-ethyl)-ammonium; bromide

Refernces

• 1、 Cohen, Theodore,Onopchenko, Anatoli. "Competing Hydride Transfer and Ene Reactions in the Aminoalkylation of 1-Alkenes with N,N-Dimethylmethyleniminium Ions. A Literature Correction". . p. 4531 - 4537. Retrieved 2007/10/02.