N,4-Dimethylaniline hydrochloride

Base Information

• Chemical Name: N,4-Dimethylaniline hydrochloride
• CAS No.: 2739-05-1
• Molecular Formula: C8H11N.ClH
• Molecular Weight: 157.64100
• DSSTox Substance ID: DTXSID30483125
• Mol file: 2739-05-1.mol

Synonyms:N,4-Dimethylaniline hydrochloride;2739-05-1;N,4-DIMETHYLANILINE, HCL;N,4-dimethylaniline;hydrochloride;N,4-Dimethylanilinehydrochloride;SCHEMBL2866389;DTXSID30483125;N, 4-dimethylaniline;CAA73905;MFCD12913958;AKOS015910046;SB75956;BS-23687;CS-0211389

Chemical Property of N,4-Dimethylaniline hydrochloride

Chemical Property:

• PSA: 12.03000
• LogP: 2.91170
• Storage Temp.: Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 157.0658271
• Heavy Atom Count: 10
• Complexity: 72.6

Purity/Quality:

99% ^*data from raw suppliers

N,4-Dimethylanilinehydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)NC.Cl
• Uses: N,4-Dimethylaniline, HCl

Technology Process of N,4-Dimethylaniline hydrochloride

There total 5 articles about N,4-Dimethylaniline 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: 100.0%

methanol (67-56-1) + p-toluidine (106-49-0,12221-03-3) → N-methyl-4-methylaniline hydrochloride (2739-05-1)

Guidance literature:

methanol; p-toluidine; With [carbonylchlorohydrido{bis[2-(diphenylphosphinomethyl)ethyl]amino}ethylamino] ruthenium(II); potassium tert-butylate; at 150 ℃; for 5h; Inert atmosphere; Autoclave;

With hydrogenchloride; In methanol; water;

DOI:10.1021/acs.orglett.8b01449

Reference yield: 85.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + p-toluidine (106-49-0,12221-03-3) → N-methyl-4-methylaniline hydrochloride (2739-05-1)

Guidance literature:

formaldehyd; p-toluidine; With hydrogen; In tetrahydrofuran; at 120 ℃; for 9h; under 3750.38 Torr; Autoclave;

With hydrogenchloride; In water;

DOI:10.1039/c7cc02314f

Reference yield: 85.0%

N-methyl-p-toluidine (623-08-5) + O-isopropyl N-methyl-N-phenylthiocarbamate (100244-42-6) + chloro(chlorosulfanyl)methanone (2757-23-5) → C17H18N2O2S2 (1327166-56-2) + N-methyl-4-methylaniline hydrochloride (2739-05-1)

Guidance literature:

O-isopropyl N-methyl-N-phenylthiocarbamate; chloro(chlorosulfanyl)methanone; In chloroform-d1; at 25 ℃; for 0.0333333h;

N-methyl-p-toluidine; In chloroform-d1;

DOI:10.1021/jo201329n

upstream raw materials:

N-methyl-p-toluidine

O-isopropyl N-methyl-N-phenylthiocarbamate

chloro(chlorosulfanyl)methanone

N-methylaniline

Downstream raw materials:

N-methyl-N-p-tolyl-guanidine

N-methyl-N-p-tolyl-thiourea

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