N,N-Diethylaniline hydrochloride

Base Information

• Chemical Name: N,N-Diethylaniline hydrochloride
• CAS No.: 5882-45-1
• Molecular Formula: C10H15 N . Cl H
• Molecular Weight: 185.697
• Hs Code.: 29214900
• European Community (EC) Number: 227-556-9
• DSSTox Substance ID: DTXSID40207551
• Mol file: 5882-45-1.mol

Synonyms:N,N-Diethylaniline hydrochloride;5882-45-1;N,N-Diethylanilinium chloride;Benzenamine, N,N-diethyl-, hydrochloride;Aniline, N,N-diethyl-, hydrochloride;N,N-diethylaniline;hydrochloride;EINECS 227-556-9;N,N-DIETHYLANILINEHYDROCHLORIDE;diethylaniline hydrochloride;SCHEMBL1920410;DTXSID40207551;MFCD01318492;AKOS026677377;LS-19288;FT-0693672;EN300-1265446;F1905-7107

Chemical Property of N,N-Diethylaniline hydrochloride

Chemical Property:

• Vapor Pressure: 0.163mmHg at 25°C
• Boiling Point: 213.5°Cat760mmHg
• Flash Point: 97.8°C
• PSA: 3.24000
• Density: g/cm³
• LogP: 3.33480
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 185.0971272
• Heavy Atom Count: 12
• Complexity: 91

Purity/Quality:

99% ^*data from raw suppliers

N,N-Diethylaniline hydrochloride 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C1=CC=CC=C1.Cl

Technology Process of N,N-Diethylaniline hydrochloride

There total 2 articles about N,N-Diethylaniline hydrochloride 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: 95.32%

N,N-diethylaniline (91-66-7) → N,N-diethylaniline hydrochloride (5882-45-1)

Guidance literature:

With hydrogenchloride; In tert-butyl methyl ether; at 10 - 15 ℃; for 2h; pH=1.5; Large scale reaction;

DOI:10.1021/op300034u

Reference yield:

N,N-diethylaniline (91-66-7) → C10H12Cl3NP(1+)*Cl6P(1-) + C10H11Cl4NP(1+)*Cl6P(1-) + N,N-diethylaniline hydrochloride (5882-45-1)

Guidance literature:

With phosphorus pentachloride; In benzene; at 15 - 20 ℃; Overall yield = 10.5 g;

DOI:10.1007/s11172-013-0006-4

Reference yield: 57.0%

HP(C2H5)2C6H5(1+)*Cr(NCS)4(P(C2H5)2C6H5)2(1-) = {HP(C2H5)2C6H5}{Cr(NCS)4(P(C2H5)2C6H5)2} + N,N-diethylaniline hydrochloride (5882-45-1) → C6H5(NH(C2H5)2)(1+)*Cr(NCS)4(P(C2H5)2C6H5)2(1-) = {C6H5(NH(C2H5)2)}{Cr(NCS)4(P(C2H5)2C6H5)2}

Guidance literature:

In methanol; water; butan-1-ol; dissolving of amine hydrochloride in water, addn. of the phosphine-complex in methanol-butanol; filtn. after 10-15 min, washing (methanol), drying at room temp. in air, elem. anal.;

upstream raw materials:

N,N-diethylaniline

Downstream raw materials:

4-(4-(diethylamino)benzyl)-N,N-diethylbenzenamine

N,N-diethylaniline salt of 5-acetyl-2-methylbenzenesulfonic acid

borane N,N-diethylaniline complex

Refernces

• 1、 Mahale, Rajendra D.,Chaskar, Sudhir P.,Patil, Kiran E.,Maikap, Golak C.,Gurjar, Mukund K.. "Corey-itsuno reduction of ketones: A development of safe and inexpensive process for synthesis of some API intermediates". experimental part. p. 710 - 713. Retrieved 2012/07/27.