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CAS No.: | 2350-01-8 |
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Name: | N,N-Diphenyl-p-phenylenediamine |
Article Data: | 47 |
Molecular Structure: | |
Formula: | C18H16N2 |
Molecular Weight: | 260.338 |
Synonyms: | 1,4-Benzenediamine,N,N-diphenyl- (9CI);p-Phenylenediamine, N,N-diphenyl- (7CI,8CI);4-(Diphenylamino)aniline;4-(N,N-Diphenylamino)aniline;4-Aminotriphenylamine;N,N-Diphenyl-1,4-phenylenediamine;N,N-Diphenyl-4-aminoaniline;N-(4-Aminophenyl)-N,N-diphenylamine;NSC231610;p-(Diphenylamino)aniline;p-Aminotriphenylamine;N,N-diphenylbenzene-1,4-diamine; |
EINECS: | 200-806-4 |
Density: | 1.168 g/cm3 |
Melting Point: | 144.0 to 148.0 °C |
Boiling Point: | 436.9 °C at 760 mmHg |
Flash Point: | 193.3 °C |
PSA: | 29.26000 |
LogP: | 5.31980 |
Conditions | Yield |
---|---|
With tin; acetic acid | 98% |
With tin; acetic acid | 98% |
With palladium 10% on activated carbon; hydrogen In tetrahydrofuran under 3000.3 Torr; for 3h; | 96% |
4-bromo-N-(4-bromophenyl)-N-(4-nitrophenyl)amine
C
4-aminotriphenylamine
Conditions | Yield |
---|---|
Stage #1: 4-nitrophenyl-bis(4'-bromophenyl)amine With tin; acetic acid at 75℃; for 1h; Stage #2: at 65℃; for 9h; | A 87% B 12% C 1% |
4-N,N-diphenylamino-1-bromobenzene
4-aminotriphenylamine
Conditions | Yield |
---|---|
With tri-tert-butyl phosphine; lithium hexamethyldisilazane; bis(dibenzylideneacetone)-palladium(0) In toluene at 20℃; for 20h; | 77% |
Stage #1: 4-N,N-diphenylamino-1-bromobenzene With tri-tert-butyl phosphine; lithium hexamethyldisilazane; bis(dibenzylideneacetone)-palladium(0) In toluene at 20℃; for 4h; Inert atmosphere; Stage #2: With trifluoroacetic acid | 74% |
With copper(l) iodide; ammonia; caesium carbonate In water; N,N-dimethyl-formamide; acetylacetone at 100℃; for 12h; | |
Multi-step reaction with 2 steps 1: sodium t-butanolate; bis(dibenzylideneacetone)-palladium(0); (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / toluene / 20 h / 95 °C / Inert atmosphere 2: hydrogenchloride / tetrahydrofuran; water / 0.5 h / 20 °C View Scheme |
Conditions | Yield |
---|---|
With bis[chloro(1,2,3-trihapto-allylbenzene)palladium(II)]; N-[2-(di(1-adamantyl)phosphino)phenyl]morpholine; ammonia; sodium t-butanolate In 1,4-dioxane at 65℃; for 24h; Inert atmosphere; chemoselective reaction; | 68% |
Conditions | Yield |
---|---|
With water; sodium t-butanolate In N,N-dimethyl-formamide at 120℃; for 10h; Schlenk technique; | 55% |
Conditions | Yield |
---|---|
With hydrogenchloride; tin(ll) chloride |
4-bromo-N-(4-bromophenyl)-N-(4-nitrophenyl)amine
D
4-aminotriphenylamine
Conditions | Yield |
---|---|
With tin; acetic acid for 8h; Heating; Further byproducts given; | A 6 % Chromat. B 13 % Chromat. C 32 % Chromat. D 4 % Chromat. |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: NaH / dimethylformamide 2: hydrazine / Pd/C / ethanol / Heating View Scheme | |
Multi-step reaction with 2 steps 1: K2CO3 / dimethylsulfoxide / 10 h / 145 - 150 °C 2: Sn; aq. HCl / ethanol / Heating View Scheme | |
Multi-step reaction with 2 steps 1: K2CO3; copper; nitrobenzene 2: zinc; alcohol; glacial acetic acid / unter Kuehlung View Scheme |
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The 1,4-Benzenediamine,N1,N1-diphenyl-, with the CAS registry number 2350-01-8, has the systematic name of N,N-diphenylbenzene-1,4-diamine. It is also called ,N-Diphenyl-p-phenylenediamine. And the molecular formula of this chemical is C18H16N2.
The physical properties of 1,4-Benzenediamine,N1,N1-diphenyl- are as following: (1)ACD/LogP: 4.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.98; (4)ACD/LogD (pH 7.4): 4.16; (5)ACD/BCF (pH 5.5): 567.46; (6)ACD/BCF (pH 7.4): 845.91; (7)ACD/KOC (pH 5.5): 2902.79; (8)ACD/KOC (pH 7.4): 4327.18; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.681; (14)Molar Refractivity: 84.33 cm3; (15)Molar Volume: 222.8 cm3; (16)Polarizability: 33.43×10-24cm3; (17)Surface Tension: 53.9 dyne/cm; (18)Density: 1.168 g/cm3; (19)Flash Point: 193.3 °C; (20)Enthalpy of Vaporization: 69.35 kJ/mol; (21)Boiling Point: 436.9 °C at 760 mmHg; (22)Vapour Pressure: 7.78E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c3c(N(c1ccccc1)c2ccc(cc2)N)cccc3
(2)InChI: InChI=1/C18H16N2/c19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H,19H2
(3)InChIKey: UXKQNCDDHDBAPD-UHFFFAOYAQ