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CAS No.: | 10081-67-1 |
---|---|
Name: | Bis[4-(2-phenyl-2-propyl)phenyl]amine |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C30H31N |
Molecular Weight: | 405.583 |
Synonyms: | Diphenylamine,4,4'-bis(a,a-dimethylbenzyl)- (7CI,8CI);4,4'-Bis(dimethylbenzyl)diphenylamine;4,4'-Bis(a,a-dimethylbenzyl)diphenylamine;4,4'-Bis(a,a'-dimethylbenzyl)diphenylamine;4-(1-Methyl-1-phenylethyl)-N-[4-(1-methyl-1-phenylethyl)phenyl]aniline;4-(1-Methyl-1-phenylethyl)-N-[4-(1-methyl-1-phenylethyl)phenyl]benzenamine;AO445;Antioxidant 445;Bis(p-cumylphenyl)amine;Bis(phenylisopropylidene)-4,4'-diphenylamine;KY 405;MD 40 (antioxidant);Naugalube AMS;Naugard 445;Nocrac CD;Nonflex DCD;Permanax 49;Permanax 49HV;RDZ;4, 4'-Bis (Alpha, Alpha-Dimethylbenzyl) Diphenylamine; |
EINECS: | 233-215-5 |
Density: | 1.061 g/cm3 |
Melting Point: | 100 °C |
Boiling Point: | 535.2 °C at 760 mmHg |
Flash Point: | 292 °C |
Solubility: | 6.7μg/L at 20℃ |
Appearance: | white to gray powder |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 12.03000 |
LogP: | 8.15500 |
Conditions | Yield |
---|---|
With Al-MSU-G at 90℃; for 6h; Product distribution; Further Variations:; Reagents; Temperatures; reaction time; | A 97.2% B n/a |
With acid-treated clay catalyst Engelhard F-24 In o-xylene at 89.9℃; for 12h; Product distribution; Irradiation; other alkylating agent, var. catalyst, var. temp, var. solvent, var. time, also without sonication, and in air, also reused catalysts; |
Conditions | Yield |
---|---|
With zinc(II) chloride In ethanol; 1,2-dichloro-ethane at 185℃; Solvent; Temperature; Reagent/catalyst; Flow reactor; regioselective reaction; | 89% |
Stage #1: diphenylamine With tin(ll) chloride; magnesium chloride Heating; Stage #2: isopropenylbenzene at 130 - 140℃; for 1.5h; Reagent/catalyst; Temperature; | 85% |
With 2-methylbenzene-1,4-diol In toluene at 60 - 125℃; Inert atmosphere; | 38.5 g |
2,4-dimethyl-1-heptene
N-phenyl-1-naphthylamine
diphenylamine
isopropenylbenzene
D
bis[4-(2-phenyl-2-propyl)phenyl]amine
Conditions | Yield |
---|---|
Stage #1: N-phenyl-1-naphthylamine; diphenylamine; Fulcat 22B at 220℃; under 15.0015 Torr; for 1h; Stage #2: 2,4-dimethyl-1-heptene at 130 - 220℃; for 6.5h; Stage #3: isopropenylbenzene at 130 - 134℃; for 3h; Product distribution / selectivity; |
2,4-dimethyl-1-heptene
diphenylamine
isopropenylbenzene
D
bis[4-(2-phenyl-2-propyl)phenyl]amine
Conditions | Yield |
---|---|
Stage #1: 2,4-dimethyl-1-heptene; diphenylamine; Fulcat 22B at 80 - 220℃; under 15.0015 Torr; for 5.5 - 7.5h; Stage #2: isopropenylbenzene at 130 - 134℃; for 3h; Product distribution / selectivity; |
bis[4-(2-phenyl-2-propyl)phenyl]amine
Conditions | Yield |
---|---|
With tri-tert-butyl phosphine; palladium diacetate; sodium t-butanolate In toluene at 90℃; for 3h; Inert atmosphere; | 90% |
9,10-Dibromoanthracene
bis[4-(2-phenyl-2-propyl)phenyl]amine
Conditions | Yield |
---|---|
With tri-tert-butyl phosphine; palladium diacetate; potassium carbonate In toluene for 10h; Reflux; | 80% |
ethyl 2-bromoisobutyrate
bis[4-(2-phenyl-2-propyl)phenyl]amine
Conditions | Yield |
---|---|
With [2,2]bipyridinyl; copper diacetate; potassium carbonate In acetonitrile at 120℃; for 12h; Schlenk technique; Inert atmosphere; | 80% |
bis[4-(2-phenyl-2-propyl)phenyl]amine
Conditions | Yield |
---|---|
With bis(tri-t-butylphosphine)palladium(0); sodium t-butanolate In 5,5-dimethyl-1,3-cyclohexadiene for 3h; Inert atmosphere; Heating; | 70% |
Conditions | Yield |
---|---|
With tris-(dibenzylideneacetone)dipalladium(0); sodium t-butanolate at 130℃; Inert atmosphere; | 66.2% |
bis[4-(2-phenyl-2-propyl)phenyl]amine
4-Fluoronitrobenzene
bis[4-(2-phenyl-2-isopropyl)phenyl]-4-nitrophenylamine
Conditions | Yield |
---|---|
With sodium hydride In dimethyl sulfoxide at 120℃; for 24h; | 63% |
With sodium hydride In dimethyl sulfoxide at 120℃; for 48h; | 50% |
With sodium hydride In dimethyl sulfoxide at 120℃; for 48h; | 50% |
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The IUPAC name of Benzenamine,4-(1-methyl-1-phenylethyl)-N-[4-(1-methyl-1-phenylethyl)phenyl]- is 4-(2-phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline. With the CAS registry number 10081-67-1, it is also named as Diphenylamine, 4,4'-bis(alpha,alpha-dimethylbenzyl)-. The product's categories are Industrial/Fine Chemicals; Organics, and the other registry numbers are 108192-80-9; 125053-82-9. Besides, it should be stored in a closed containers in a cool and dry place. In addition, its molecular formula is C30H31N and molecular weight is 405.58.
The other characteristics of Benzenamine,4-(1-methyl-1-phenylethyl)-N-[4-(1-methyl-1-phenylethyl)phenyl]- can be summarized as: (1)ACD/LogP: 8.34; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.34; (4)ACD/LogD (pH 7.4): 8.34; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 820784.06; (8)ACD/KOC (pH 7.4): 820883.19; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.607; (14)Molar Refractivity: 131.93 cm3; (15)Molar Volume: 382 cm3; (16)Polarizability: 52.3×10-24cm3; (17)Surface Tension: 40.8 dyne/cm; (18)Density: 1.061 g/cm3; (19)Flash Point: 292 °C; (20)Enthalpy of Vaporization: 81.15 kJ/mol; (21)Boiling Point: 535.2 °C at 760 mmHg; (22)Vapour Pressure: 1.58E-11 mmHg at 25 °C.
Preparation and Uses of Benzenamine,4-(1-methyl-1-phenylethyl)-N-[4-(1-methyl-1-phenylethyl)phenyl]-: the main use of this chemical is for the non-polluting amines antiager. And this chemical can be prepared by N-phenylaniline and 2-Phenyl-1-propene. This reaction will need catalyst activatedclay.
When you are using this chemical, please be cautious about it as the following: it irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
People can use the following data to convert to the molecule structure.
(1)SMILES: c3c(Nc1ccc(cc1)C(c2ccccc2)(C)C)ccc(c3)C(c4ccccc4)(C)C
(2)InChI: InChI=1/C30H31N/c1-29(2,23-11-7-5-8-12-23)25-15-19-27(20-16-25)31-28-21-17-26(18-22-28)30(3,4)24-13-9-6-10-14-24/h5-22,31H,1-4H3
(3)InChIKey: UJAWGGOCYUPCPS-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C30H31N/c1-29(2,23-11-7-5-8-12-23)25-15-19-27(20-16-25)31-28-21-17-26(18-22-28)30(3,4)24-13-9-6-10-14-24/h5-22,31H,1-4H3
(5)Std. InChIKey: UJAWGGOCYUPCPS-UHFFFAOYSA-N