N,N-Diethylheptylamine

Base Information

• Chemical Name: N,N-Diethylheptylamine
• CAS No.: 26981-81-7
• Molecular Formula: C11H25 N
• Molecular Weight: 171.326
• Hs Code.: 2921199090
• European Community (EC) Number: 248-153-4
• DSSTox Substance ID: DTXSID50949753
• Nikkaji Number: J308.431K
• Wikidata: Q82927687
• Mol file: 26981-81-7.mol

Synonyms:N,N-Diethylheptylamine;26981-81-7;N,N-Diethylheptan-1-amine;diethyl-heptyl-amine;EINECS 248-153-4;N,N-diethylheptanamine;N,N-diethyl-1-heptanamine;SCHEMBL3414557;DTXSID50949753;NS00050005

Chemical Property of N,N-Diethylheptylamine

Chemical Property:

• Vapor Pressure: 0.243mmHg at 25°C
• Melting Point: -72.57°C (estimate)
• Refractive Index: 1.4265
• Boiling Point: 206°Cat760mmHg
• PKA: 10.76±0.25(Predicted)
• Flash Point: 68.3°C
• PSA: 3.24000
• Density: 0.788g/cm³
• LogP: 3.29860
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 171.198699802
• Heavy Atom Count: 12
• Complexity: 77.1

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCN(CC)CC

Technology Process of N,N-Diethylheptylamine

There total 15 articles about N,N-Diethylheptylamine 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:

hexan-1-amine (111-26-2) + carbon monoxide (201230-82-2) + diethylamine (109-89-7) → diethyl-(2-methyl-hexyl)-amine (115000-71-0) + N,N-diethylheptylamine (26981-81-7) + C11H23N

Guidance literature:

With hydrogen; In methanol; toluene; at 100 ℃; for 4h; Autoclave;

DOI:10.1016/j.apcata.2014.01.002

Reference yield:

1-hexene (592-41-6,25067-06-5) + carbon monoxide (201230-82-2) + diethylamine (109-89-7) → diethyl-(2-methyl-hexyl)-amine (115000-71-0) + N,N-diethylheptylamine (26981-81-7) + diethylaminoheptene (30432-24-7) + C11H23N

Guidance literature:

With hydrogen; In methanol; toluene; at 120 ℃; for 24h; Autoclave;

DOI:10.1016/j.apcata.2012.12.021

Reference yield:

heptanal (111-71-7) + diethylamine (109-89-7) → N,N-diethylheptylamine (26981-81-7)

Guidance literature:

With imine reductase from Streptomyces ipomoeae; NADPH; In water; at 30 ℃; for 0.166667h; pH=9.5; Catalytic behavior; Enzymatic reaction;

DOI:10.1002/cbic.201700257

upstream raw materials:

ethanol

diethylaminoheptene

acetic acid-(4-diethylamino-1-propyl-but-2-ynyl ester)

1-Bromoheptane

Downstream raw materials:

Benzyl-diethyl-heptyl-ammonium; chloride

(Z)-4-(4-chlorophenyl)-N,N-diethyl-N-heptyl-2-butenaminium 4-methylbenzenesulfonate

[(E)-4-(4-Bromo-phenyl)-but-2-enyl]-diethyl-heptyl-ammonium; chloride

(E)-4-(2-chlorophenyl)-N,N-diethyl-N-hept-2-butenaminium chloride

Refernces

• 1、 Gun, Gong,Li, Liusha,Li, Xiao,Lin, Tiejun,Qin, Tingting,Zhong, Liangshu. "Atomically dispersed Rh on hydroxyapatite as an effective catalyst for tandem hydroaminomethylation of olefins". . . Retrieved 2021/07/07.
• 2、 Sudheesh,Shukla, Ram S.. "Rhodium exchanged ETS-10 and ETS-4: Efficient heterogeneous catalyst for hydroaminomethylation". . p. 116 - 124. Retrieved 2014/02/14.