CAS No.620-84-8,4-Methyldiphenylamine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	620-84-8
Name:	4-Methyldiphenylamine
Article Data:	341

Formula:	C₁₃H₁₃N
Molecular Weight:	183.253
Synonyms:	p-Toluidine,N-phenyl- (6CI,7CI,8CI);(4-Methylphenyl)phenylamine;4-Methyl-N-phenylaniline;N-4-Tolylaniline;N-Phenyl-4-methylaniline;N-Phenyl-p-toluidine;N-p-Tolylaniline;Phenyl-p-tolylamine;p-Methyldiphenylamine;
EINECS:	210-655-6
Density:	1.066 g/cm³
Melting Point:	90°C
Boiling Point:	334 °C at 760 mmHg
Flash Point:	154.9 °C
Solubility:	Insoluble in water. Soluble in benzene, toluene,methanol, ethanol
Appearance:	white crystal
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	12.03000
LogP:	3.81160

Synthetic route

: 106-49-0
p-toluidine

: 100-58-3
phenylmagnesium bromide

: 620-84-8
4-methyldiphenylamine

Conditions

Conditions	Yield
Stage #1: p-toluidine With n-butyllithium; dichloro(N,N,N’,N‘-tetramethylethylenediamine)zinc In tetrahydrofuran; hexane at 0 - 20℃; for 0.5h; Inert atmosphere; Schlenk technique; Stage #2: phenylmagnesium bromide With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; bis(acetylacetonate)nickel(II); 1,2-dichloro-2-methylpropane In tetrahydrofuran; hexane at 0 - 20℃; for 3h; Reagent/catalyst; Solvent; Inert atmosphere; Schlenk technique;	100%

Yield

Stage #1: p-toluidine With n-butyllithium; dichloro(N,N,N’,N‘-tetramethylethylenediamine)zinc In tetrahydrofuran; hexane at 0 - 20℃; for 0.5h; Inert atmosphere; Schlenk technique;
Stage #2: phenylmagnesium bromide With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; bis(acetylacetonate)nickel(II); 1,2-dichloro-2-methylpropane In tetrahydrofuran; hexane at 0 - 20℃; for 3h; Reagent/catalyst; Solvent; Inert atmosphere; Schlenk technique;

100%

: 108-86-1
bromobenzene

: 106-49-0
p-toluidine

: 620-84-8
4-methyldiphenylamine

Conditions

Conditions	Yield
With chloro[2-(dicyclohexylphosphino)-3 ,6-dimethoxy-2’,4’, 6’-triisopropyl- 1,1’-biphenyl] [2-(2-aminoethyl)phenyl]palladium(II); sodium t-butanolate; ruphos In 1,4-dioxane at 110℃; for 24h; Inert atmosphere;	99%
With sodium t-butanolate; catacxium A In toluene at 110℃; for 12h; Buchwald-Hartwig reaction;	99%
With (1,3-bis(2,6-diisopropylphenyl)-3,4,5,6-tetrahydropyrimidin-2-ylidene)Pd(cinnamyl, 3-phenylallyl)Cl; sodium t-butanolate In neat (no solvent) at 110℃; for 12h; Buchwald-Hartwig Coupling; Inert atmosphere; Green chemistry;	99%

: 106-38-7
para-bromotoluene

: 62-53-3
aniline

: 620-84-8
4-methyldiphenylamine

Conditions

Conditions	Yield
With tri-tert-butyl phosphine; sodium t-butanolate; tris-(dibenzylideneacetone)dipalladium(0) In toluene at 20℃; for 18h;	99%
With [Pd(N,N'-bis(2,6-bis(di-p-tolylmethyl)-4-methylphenyl)-imidazol-2-ylidene)(acetylacetonate)Cl]; lithium hexamethyldisilazane In 1,4-dioxane at 110℃; for 3h; Buchwald-Hartwig Coupling; Inert atmosphere; Sealed tube;	99%
With nickel(II) bromide trihydrate; N,N-dimethyl-cyclohexanamine; C70H75BN2 In 1,2-dimethoxyethane; N,N-dimethyl-formamide at 50℃; for 12h; Inert atmosphere;	98%

: 106-43-4
para-chlorotoluene

: 62-53-3
aniline

: 620-84-8
4-methyldiphenylamine

Conditions

Conditions	Yield
With (R)-1-[(SP)-2-(diphenylphosphino)ferrocenyl]ethyldi-tert-butylphosphine; bis(dibenzylideneacetone)-palladium(0); sodium t-butanolate In toluene at 110℃; for 16h; Mechanism; Product distribution; other amines; other aryl halides and tosylates; var. chelating alkylphosphines, var. time, var. temp., further solvent;	99%
With (R)-1-[(SP)-2-(diphenylphosphino)ferrocenyl]ethyldi-tert-butylphosphine; bis(dibenzylideneacetone)-palladium(0); sodium t-butanolate In toluene at 110℃; for 16h;	99%
With potassium tert-butylate; 1,3-bis[(2,6-diisopropyl)phenyl]imidazolinium chloride; tris(dibenzylideneacetone)dipalladium (0) In 1,4-dioxane at 100℃; for 5h;	99%

: 591-50-4
iodobenzene

: 106-49-0
p-toluidine

: 620-84-8
4-methyldiphenylamine

Conditions

Conditions	Yield
With nickel(II) iodide; potassium phosphate; 2-Phenyl-1,3,2-dioxaborinane In 1,4-dioxane at 115℃; for 24h; Buchwald-Hartwig Coupling; Inert atmosphere; chemoselective reaction;	99%
With C29H25CuIN3OPPd; sodium t-butanolate In toluene at 40℃; for 24h;	94%
With nickel(II) chloride hexahydrate; triethylamine at 125℃; for 0.333333h; Microwave irradiation; Neat (no solvent);	92%

: 106-49-0
p-toluidine

: 108-90-7
chlorobenzene

: 620-84-8
4-methyldiphenylamine

Conditions

Conditions	Yield
With sodium t-butanolate; palladium diacetate; (R)-(-)-1-[(S)-2-(dicyclohexylphosphino)ferrocenyl]ethyl di-t-butylphosphine In 1,2-dimethoxyethane at 100℃; for 24h;	99%
With bis(η3-allyl-μ-chloropalladium(II)); potassium tert-butylate; 1,3-bis[(2,6-diisopropyl)phenyl]imidazolinium chloride In 1,4-dioxane at 100℃; for 1.5h; Inert atmosphere;	99%
With chloro[2-(dicyclohexylphosphino)-3 ,6-dimethoxy-2’,4’, 6’-triisopropyl- 1,1’-biphenyl] [2-(2-aminoethyl)phenyl]palladium(II); sodium t-butanolate; ruphos In 1,4-dioxane at 110℃; for 24h; Inert atmosphere;	99%

: 29540-83-8
p-tolyl triflate

: 62-53-3
aniline

: 620-84-8
4-methyldiphenylamine

Conditions

Conditions	Yield
With C59H74F4OPPd(1+)*CF3O3S(1-); 1,8-diazabicyclo[5.4.0]undec-7-ene In tert-butyl methyl ether at 20℃; for 0.333333h; Catalytic behavior; Reagent/catalyst;	99%
With caesium carbonate; palladium diacetate In toluene at 100℃; for 8h;
With palladium diacetate; caesium carbonate; XPhos In toluene at 100℃; for 1.5h;

: 139-66-2
diphenyl sulfide

: 106-49-0
p-toluidine

: 620-84-8
4-methyldiphenylamine

Conditions

Conditions	Yield
With SingaCycle-A3; potassium hexamethylsilazane In 1,4-dioxane; toluene at 100℃; for 12h; Schlenk technique; Inert atmosphere;	99%

: 107536-32-3
tris(4-methylphenyl)bismuth diacetate

: 62-53-3
aniline

: 620-84-8
4-methyldiphenylamine

Conditions

Conditions	Yield
copper In dichloromethane for 11h; Ambient temperature;	98%

: 106-49-0
p-toluidine

: 28899-97-0
triphenylbismuth(V) diacetate

: 620-84-8
4-methyldiphenylamine

Conditions

Conditions	Yield
copper In dichloromethane for 0.75h; Ambient temperature;	97%

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Chemistry

IUPAC Name: 4-Methyl-N-phenylaniline
Molecular Formula: C₁₃H₁₃N
Molar mass: 183.249 g/mol
EINECS: 210-655-6
Density: 1.066 g/cm³
Melting point: 90 °C
Flash Point: 154.9 °C
Index of Refraction: 1.621
Surface Tension: 42.3 dyne/cm
Boiling Point: 334 °C at 760 mmHg
Vapour Pressure: 0.000132 mmHg at 25 °C
Structure of 4-Methyldiphenylamine(620-84-8):

Product Categories: electronic; pharmacetical; Amines; Electronic Chemicals; Diphenylamines (for High-Performance Polymer Research); Functional Materials; Reagent for High-Performance Polymer Research
Canonical SMILES: CC1=CC=C(C=C1)NC2=CC=CC=C2
InChI: InChI=1S/C13H13N/c1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12/h2-10,14H,1H3
InChIKey: AGHYMXKKEXDUTA-UHFFFAOYSA-N

Uses

4-Methyldiphenylamine(620-84-8) is organic synthesis's intermediates and can be used as reagent for high-performance polymer research.

Specification

4-Methyldiphenylamine , its cas register number is 620-84-8. It also can be called N-Phenyl-p-toluidine; 4-Methyl-N-phenylbenzenamine .