ChemicalBook--->CAS DataBase List--->19616-28-5

19616-28-5

19616-28-5 Structure

19616-28-5 Structure
IdentificationBack Directory
[Name]

N-(2,4-Dimethylphenyl)-2,4-dimethylbenzenamine
[CAS]

19616-28-5
[Synonyms]

Di-2,4-xylylamine
bis(2,4-diMethylphenyl)aMine
2,2′4,4′-tetramethyldiphenylamine
2,4,2',4'- tetramethyl diphenylamine
N-(2,4-Dimethylphenyl)-2,4-dimethylaniline
N-(2,4-Dimethylphenyl)-2,4-dimethylbenzemine
N-(2,4-Dimethylphenyl)-2,4-dimethylbenzenamine
Benzenamine, N-(2,4-dimethylphenyl)-2,4-dimethyl-
[EINECS(EC#)]

1533716-785-6
[Molecular Formula]

C16H19N
[MDL Number]

MFCD16619146
[MOL File]

19616-28-5.mol
[Molecular Weight]

225.33
Chemical PropertiesBack Directory
[Melting point ]

57.0 to 61.0 °C
[Boiling point ]

310°C(lit.)
[density ]

1.021
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

soluble in Methanol
[form ]

powder to crystal
[pka]

1.43±0.50(Predicted)
[color ]

White to Orange to Green
[InChI]

InChI=1S/C16H19N/c1-11-5-7-15(13(3)9-11)17-16-8-6-12(2)10-14(16)4/h5-10,17H,1-4H3
[InChIKey]

MAINCNYZMOMWRA-UHFFFAOYSA-N
[SMILES]

C1(NC2=CC=C(C)C=C2C)=CC=C(C)C=C1C
[CAS DataBase Reference]

19616-28-5
Safety DataBack Directory
[HS Code ]

2921.49.5000
Hazard InformationBack Directory
[Chemical Properties]

White powder
[Uses]

Bis(2,4-dimethylphenyl)amine is a pharmaceutical intermediate widely used in food, health care products, cosmetics and other fields.
[Synthesis]

2,4-dimethylaniline 2.67 g (molecular weight 121,22 mmol) was added to a 100 ml reaction flask under nitrogen.2.68 g of 2,4-dimethylbromobenzene (molecular weight 184,20 mmol), 5.76 g of sodium tert-butoxide (molecular weight 96,60 mmol), Pd2(dba)3 183 mg (molecular weight 916, 0.2 mmol), P(tBu)3 121 mg (molecular weight 202, 0.6 mmol).Anhydrous toluene 50 ml.After the addition, the oil bath was slowly heated to reflux reaction, and TLC monitored the reaction end, and the reaction was completed in 10 hours. Cooled, quenched with water, and extracted with 50ml of dichloromethane, the organic phase dried over anhydrous MgSO4, and the organic phase evaporated to dryness; the resulting solid was separated by column chromatography to give a white solid Bis(2,4-dimethylphenyl)amine 3.8g, molecular weight 225, 85percent yield.
[References]

[1] Patent: CN108727366, 2018, A. Location in patent: Paragraph 0071; 0072; 0073; 0074; 0075
[2] Patent: WO2014/93353, 2014, A1. Location in patent: Paragraph 135
[3] Patent: US2017/29362, 2017, A1. Location in patent: Paragraph 0336
[4] ACS Catalysis, 2014, vol. 4, # 10, p. 3470 - 3480
Spectrum DetailBack Directory
[Spectrum Detail]

Bis(2,4-dimethylphenyl)amine(19616-28-5)1HNMR
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