4-Chloro-N,N-dimethylaniline

Base Information

• Chemical Name: 4-Chloro-N,N-dimethylaniline
• CAS No.: 698-69-1
• Molecular Formula: C8H10 Cl N
• Molecular Weight: 155.627
• Hs Code.: 2921420090
• European Community (EC) Number: 810-511-8
• UNII: QDJ2NX35FV
• DSSTox Substance ID: DTXSID50220099
• Nikkaji Number: J270.060C
• Wikidata: Q63408901
• Mol file: 698-69-1.mol

Synonyms:4-Chloro-N,N-dimethylaniline;698-69-1;Benzenamine, 4-chloro-N,N-dimethyl-;4-Chloro-N,N-dimethylaniline-2-D;p-chloro-n,n-dimethylaniline;2241982-89-6;Aniline, p-chloro-N,N-dimethyl-;MFCD07780200;QDJ2NX35FV;SCHEMBL59751;n,n-dimethyl-4-chloroaniline;Chlorodimethylaminobenzene, p-;4-(Dimethylamino)chlorobenzene;4-Chloro-N,N-dimethylaniline #;4-chloro-N,N-dimethylBenzenamine;DTXSID50220099;(4-Chloro-phenyl)-dimethyl-amine;1-chloro-4-(dimethylamino)benzene;MFCD31699969;AKOS006283425;PS-3991;SB76552;SY027100;SY246299;CS-0151319;DCA_156.0575_17.7;A836675;Q63408901

Chemical Property of 4-Chloro-N,N-dimethylaniline

Chemical Property:

• Vapor Pressure: 0.15mmHg at 25°C
• Melting Point: 35.5°C
• Refractive Index: 1.5578 (estimate)
• Boiling Point: 215.1°C at 760 mmHg
• PKA: 4.34±0.12(Predicted)
• Flash Point: 83.9°C
• PSA: 3.24000
• Density: 1.216g/cm³
• LogP: 2.40600
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 155.0501770
• Heavy Atom Count: 10
• Complexity: 95.4

Purity/Quality:

99% ^*data from raw suppliers

4-Chloro-N,N-dimethylaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Chloro-N,N-dimethylaniline

There total 57 articles about 4-Chloro-N,N-dimethylaniline 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: 99.0%

carbon dioxide (124-38-9,18923-20-1) + N-methyl(p-chloroaniline) (932-96-7) → 4-chloro-N,N-dimethylaniline (698-69-1)

Guidance literature:

With phenylsilane; triphenylphosphine; In tetrahydrofuran; at 120 ℃; for 24h; under 3750.38 Torr; Autoclave; Green chemistry;

DOI:10.1039/c5cc03151f

Reference yield: 96.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 4-chlorobenzonitrile (100-00-5) → 4-chloro-N,N-dimethylaniline (698-69-1)

Guidance literature:

With sodium carbonate; In water; dimethyl sulfoxide; at 130 ℃; for 15h; Schlenk technique; Sealed tube; Green chemistry;

DOI:10.1016/j.jcat.2019.06.022

Reference yield: 95.0%

methanol (67-56-1) + 4-chloro-aniline (106-47-8) → N-methyl(p-chloroaniline) (932-96-7) + 4-chloro-N,N-dimethylaniline (698-69-1) + N,N-bis(methoxymethyl)-N-(p-chlorophenyl)amine (1451094-78-2) + 4-chloro-N-methylen-aniline (32328-78-2) + 4-methyl-N-(methoxymethyl)-N-methylaniline (146303-58-4)

Guidance literature:

With Cu₁-Mo₁/TiO₂; In neat liquid; at 20 ℃; for 21h; Reagent/catalyst; Time; Catalytic behavior; Mechanism; Inert atmosphere; UV-irradiation;

DOI:10.1039/c5cy00316d

upstream raw materials:

trimethyl phosphite

4-chloro-aniline

formaldehyd

formic acid

Downstream raw materials:

4-chloro-N-methyl-N-nitrosoaniline

5-chloro-2-dimethylamino-benzyl alcohol

5-chloro-2-dimethylamio-benzoic acid

bis-(5-chloro-2-dimethylamino-phenyl)-methane

Refernces

Solarylations via 4-aminophenyl cations

10.1021/jo902669j

The research explores the application of the photo-SN1 reaction on 4-chloroanilines under solar irradiation to develop a metal-free arylation method. The study aims to improve the environmental sustainability of arylations by using sunlight, more environmentally friendly solvents, and reducing the excess of trapping agents. The researchers optimized the reaction conditions using a solar simulator and then tested the reactions under direct sunlight. They found that the process could be scaled up to a gram scale with satisfactory yields, even with higher starting concentrations of halides and lower proportions of trapping agents. The study concludes that solar-induced photo-ArSN1 arylations are a viable and environmentally friendly alternative to traditional metal-catalyzed arylations, with the added benefit of being powered by renewable solar energy. 4-Chloro-N,N-dimethylaniline (1a) serves as the starting material for generating the 4-N,N-dimethylaminophenyl cation upon irradiation. Mesitylene (2a) acts as a p-trap in the reaction. R-Methylstyrene (2b) is another nucleophile used in the study. Allyltrimethylsilane (2c) serves as a nucleophile in the reaction.

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