N,N-Dimethyl-N'-phenylethylenediamine

Base Information

• Chemical Name: N,N-Dimethyl-N'-phenylethylenediamine
• CAS No.: 6711-46-2
• Molecular Formula: C10H16 N2
• Molecular Weight: 164.25
• Hs Code.: 2921590090
• European Community (EC) Number: 229-760-3
• UNII: H529KF3HCS
• DSSTox Substance ID: DTXSID1064459
• Nikkaji Number: J298.078I
• Wikidata: Q81991568
• ChEMBL ID: CHEMBL138614
• Mol file: 6711-46-2.mol

Synonyms:6711-46-2;N,N-Dimethyl-N'-phenylethylenediamine;1,2-Ethanediamine, N,N-dimethyl-N'-phenyl-;dimethyl[2-(phenylamino)ethyl]amine;N-[2-(dimethylamino)ethyl]aniline;1,2-Ethanediamine, N1,N1-dimethyl-N2-phenyl-;N',N'-dimethyl-N-phenylethane-1,2-diamine;EINECS 229-760-3;H529KF3HCS;CHEMBL138614;N-(2-(Dimethylamino)ethyl)aniline;DIMETHYL(2-(PHENYLAMINO)ETHYL)AMINE;UNII-H529KF3HCS;SCHEMBL171395;DTXSID1064459;BDBM50404731;STK832181;AKOS000253466;CCG-356532;N,N-dimethyl-N'-phenyl-ethylenediamine;N,N-dimethyl-N'-phenylethylenedi-amine;NCGC00327599-01;n,n-dimethyl-n'-phenyl-1,2-ethanediamine;N,N-dimethyl-N'-phenylethane-1,2-diamine;CS-0252231;EN300-59495;F83232;AB01322874-02;Z335250304

Chemical Property of N,N-Dimethyl-N'-phenylethylenediamine

Chemical Property:

• Boiling Point: 117-118 °C(Press: 8 Torr)
• PKA: 8.83±0.28(Predicted)
• Flash Point: 113.2oC
• PSA: 15.27000
• Density: 0.991±0.06 g/cm3(Predicted)
• LogP: 1.73310
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 164.131348519
• Heavy Atom Count: 12
• Complexity: 106

Purity/Quality:

99% ^*data from raw suppliers

DIMETHYL[2-(PHENYLAMINO)ETHYL]AMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CCNC1=CC=CC=C1

Technology Process of N,N-Dimethyl-N'-phenylethylenediamine

There total 11 articles about N,N-Dimethyl-N'-phenylethylenediamine 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: 98.0%

2-(dimethylamino)ethyl chloride (107-99-3) + aniline (62-53-3) → N,N-dimethyl-N'-phenyl-1,2-ethanediamine (6711-46-2)

Guidance literature:

With potassium iodide; In acetonitrile; at 110 ℃; for 0.166667h; under 825.066 Torr; microwave irradiation;

DOI:10.1016/j.tetlet.2004.10.002

Reference yield: 89.0%

(2-chloroethyl)dimethylamine hydrochloride (4584-46-7) + aniline (62-53-3) → N,N-dimethyl-N'-phenyl-1,2-ethanediamine (6711-46-2)

Guidance literature:

(2-chloroethyl)dimethylamine hydrochloride; aniline; In water; at 150 ℃; for 0.333333h; Microwave irradiation;

With sodium hydrogencarbonate; In water; chemoselective reaction;

DOI:10.1039/b900750d

Reference yield: 59.0%

bromobenzene (108-86-1,52753-63-6) + N,N-dimethylethylenediamine (108-00-9) → N,N-dimethyl-N'-phenyl-1,2-ethanediamine (6711-46-2)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; sodium t-butanolate; In 1,4-dioxane; at 100 ℃; for 16h; Inert atmosphere;

upstream raw materials:

(2-chloroethyl)dimethylamine hydrochloride

aniline

2-(dimethylamino)ethyl chloride

Antergan

Downstream raw materials:

N,N-dimethyl-N'-(1-methyl-1H-benzimidazol-2-ylmethyl)-N'-phenyl-ethylenediamine

N-(4-bromo-3-fluorophenyl)-N',N'-dimethyl-N-phenylethane-1,2-diamine

C₁₉H₂₀N₂O

C₁₉H₂₀N₂O

Refernces

• 1、 Chen, Guangying,Huang, Gangliang,Zhou, Shiyang. "Design, synthesis and biological activity of a novel ethylenediamine derivatives as H1 receptor antagonists". . . Retrieved 2019/11/21.
• 2、 Staroń, Jakub,Warszycki, Dawid,Kurczab, Rafa?,Sata?a, Grzegorz,Bugno, Ryszard,Hogendorf, Adam,Bojarski, Andrzej J.. "Halogen bonding enhances activity in a series of dual 5-HT6/D2 ligands designed in a hybrid bioisostere generation/virtual screening protocol". . p. 54918 - 54925. Retrieved 2016/07/06.