N,N-Dimethyloctylamine

Base Information

• Chemical Name: N,N-Dimethyloctylamine
• CAS No.: 7378-99-6
• Molecular Formula: C10H23N
• Molecular Weight: 157.299
• Hs Code.: 29211980
• European Community (EC) Number: 230-939-3
• NSC Number: 63928
• UNII: 20N7H7X4SD
• DSSTox Substance ID: DTXSID2036299
• Nikkaji Number: J97.830B
• Wikidata: Q27253474
• ChEMBL ID: CHEMBL3183197
• Mol file: 7378-99-6.mol

Synonyms:octyldimethylamine;octyldimethylamine acetate;octyldimethylamine hydrochloride;octyldimethylamine hydroiodide;octyldimethylamine phosphate

Chemical Property of N,N-Dimethyloctylamine

Chemical Property:

• Appearance/Colour: clear liquid
• Vapor Pressure: 0.8 mm Hg ( 25 °C)
• Melting Point: -57 °C
• Refractive Index: 1.4243
• Boiling Point: 191.643 °C at 760 mmHg
• PKA: 9.86±0.28(Predicted)
• Flash Point: 65 °C
• PSA: 3.24000
• Density: 0.783 g/cm³
• LogP: 2.90850
• Storage Temp.: -20°C
• Sensitive.: Air Sensitive
• Water Solubility.: slightly soluble
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 157.183049738
• Heavy Atom Count: 11
• Complexity: 69.3

Purity/Quality:

99.9% ^*data from raw suppliers

N,N- ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,C
• Hazard Codes: T,C
• Statements: 25-37/38-41-34-36/37
• Safety Statements: 26-39-45-36/37/39-27

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCN(C)C
• Uses: Barlene(R) 8S is a tertiary amine used typically as an intermediate in the manufacture of quaternary ammonium compounds. N,N-Dimethyl-n-octylamine is used as ion-pairing agent in the quantitative estimation of thiazinamium methylsulphate in a pharmaceutical preparation by HPLC. It acts as a counterion in mobile phase for separation of tetracycline, tetracycline analogs and their potential impurities by reversed-phase ion-pair chromatography. Further, it is used in the study of chiral separations by complexation with proteins in capillary zone electrophoresis. In addition to this, it is used as a mobile phase in direct resolution and quantitation of (R)- and (S)-disopyramide

Technology Process of N,N-Dimethyloctylamine

There total 36 articles about N,N-Dimethyloctylamine 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%

methanol (67-56-1) + n-Octylamine (111-86-4) → N,N-dimethyloctanamide (7378-99-6)

Guidance literature:

chloro(cyclopentadienyl)bis(triphenylphosphine)ruthenium (II); at 100 ℃;

Reference yield: 98.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + n-Octylamine (111-86-4) → N,N-dimethyloctanamide (7378-99-6)

Guidance literature:

With [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂; In hexane; water; at 50 ℃; for 5h;

DOI:10.1002/cssc.201600824

Reference yield: 94.0%

N,N-dimethyloctamide (1118-92-9) → N,N-dimethyloctanamide (7378-99-6)

Guidance literature:

With triethyl borane; phenylsilane; sodium hydroxide; In tetrahydrofuran; tert-butyl methyl ether; at 20 ℃; chemoselective reaction; Inert atmosphere; Schlenk technique; Sealed tube;

DOI:10.1021/acs.joc.9b00277

upstream raw materials:

N,N-dimethyloctamide

octyl-amidophosphoric acid dimethyl ester

1-Iodooctane

dimethyl amine

Downstream raw materials:

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

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

benzyldimethyl-n-octylammonium chloride

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

Refernces

• 1、 Liu, Peng,Yang, Jiazhi,Ai, Yao,Hao, Shushu,Chen, Xiaozhong,Li, Feng. "Recyclable covalent triazine framework-supported iridium catalyst for the N-methylation of amines with methanol in the presence of carbonate". . p. 281 - 290. Retrieved 2021/03/26.
• 2、 Liu, Xiang,Loh, Teck-Peng,Qiang, Wenwen,Wang, Jing,Ye, Sen,Zhu, Longfei. "Additive-freeN-methylation of amines with methanol over supported iridium catalyst". . p. 3364 - 3375. Retrieved 2021/06/06.