4-Chloro-N,N-dimethylbenzamide

Base Information

• Chemical Name: 4-Chloro-N,N-dimethylbenzamide
• CAS No.: 14062-80-7
• Molecular Formula: C9H10 Cl N O
• Molecular Weight: 183.637
• Hs Code.: 2924299090
• European Community (EC) Number: 237-909-9
• NSC Number: 38420
• UNII: 7E2JS45BUC
• DSSTox Substance ID: DTXSID60161449
• Nikkaji Number: J216.845F
• Wikidata: Q72518655
• Mol file: 14062-80-7.mol

Synonyms:4-Chloro-N,N-dimethylbenzamide;14062-80-7;N,N-Dimethyl 4-chlorobenzamide;Benzamide, 4-chloro-N,N-dimethyl-;N,N-Dimethyl-4-chlorobenzamide;p-Chloro-N,N-dimethylbenzamide;7E2JS45BUC;EINECS 237-909-9;NSC-38420;AI3-30807;N,N-Dimethyl p-chlorobenzamide;NSC38420;UNII-7E2JS45BUC;n,n-dimethyl-p-chlorobenzamide;SCHEMBL3630523;4-Chloro-N,N-dimethyl-benzamide;DTXSID60161449;Benzamide, p-chloro-N,N-dimethyl-;MFCD00463859;NSC 38420;STK395611;AKOS003556769;NCGC00341816-01;AS-10460;CS-0143898;FT-0752548;D70691;AB01334409-02;A846687;J-007409;Z32014358

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

Chemical Property:

• Vapor Pressure: 0.000949mmHg at 25°C
• Melting Point: 57-58 °C
• Boiling Point: 303.1°C at 760 mmHg
• PKA: -1.42±0.70(Predicted)
• Flash Point: 137.1°C
• PSA: 20.31000
• Density: 1.172
• LogP: 2.04180
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 183.0450916
• Heavy Atom Count: 12
• Complexity: 162

Purity/Quality:

97% ^*data from raw suppliers

N,N-Dimethyl 4-chlorobenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 40 articles about 4-Chloro-N,N-dimethylbenzamide 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: 94.0%

4-chlorobenzaldehyde (104-88-1) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → N,N-dimethyl-4-chlorobenzamide (14062-80-7)

Guidance literature:

With tert.-butylhydroperoxide; tetra-(n-butyl)ammonium iodide; In 1,1,2-trichloroethane; water; at 90 ℃; for 24h;

DOI:10.1002/anie.201108763

Reference yield: 94.0%

4-chloro-benzoyl chloride (122-01-0) + dimethyl amine (124-40-3) → N,N-dimethyl-4-chlorobenzamide (14062-80-7)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; Inert atmosphere;

DOI:10.1021/ja910083q

Reference yield: 94.0%

Methyl 4-chlorobenzoate (1126-46-1) + N,N-dimethylammonium chloride (506-59-2) → N,N-dimethyl-4-chlorobenzamide (14062-80-7)

Guidance literature:

With magnesium methanolate; In methanol; at 80 ℃; for 72h; Inert atmosphere;

DOI:10.1016/j.tetlet.2010.05.075

upstream raw materials:

4-chloro-benzoyl chloride

dimethyl amine

N,N-dimethylsulfamide

para-chlorobenzoic acid

Downstream raw materials:

3-(4-chloro-phenyl)-7-methyl-4,5,6,7-tetrahydro-benzo[c]isoxazole

[(4-Chloro-phenyl)-trichlorosilanyl-methyl]-dimethyl-amine

(4-chlorophenyl)(1-methyl-1H-pyrrol-2-yl)methanone

5-(4-chloro-benzoyl)-2,4-dimethyl-pyrrole-3-carboxylic acid ethyl ester