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4,4'-(4,4'-Isopropylidenediphenyl-1,1'-diyldioxy)dianiline
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Name

4,4'-(4,4'-Isopropylidenediphenyl-1,1'-diyldioxy)dianiline

 EINECS 235-985-8
CAS No. 13080-86-9 Density 1.178 g/cm3
PSA 70.50000 LogP 7.92390
Solubility Very slightly soluble in water. Soluble in acetone, Dimethyl sulfoxide(DMSO). Melting Point 127-130 °C
Formula C27H26N2O2 Boiling Point 587.1 °C at 760 mmHg
Molecular Weight 410.516 Flash Point 322.8 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 22-36/37/38
Molecular Structure Molecular Structure of 13080-86-9 (4,4'-(4,4'-Isopropylidenediphenyl-1,1'-diyldioxy)dianiline) Hazard Symbols IrritantXi,HarmfulXn
Synonyms

2,2-Bis[p-(4-aminophenoxy)phenyl]propane;4,4'-[Isopropylidenebis(1,4-phenylene)dioxy]dianiline;BAPP;Bisphenol Abis(4-aminophenyl) ether;2,2-Bis[4-(4-aminophenoxy)phenyl]propane;Aniline,4,4'-[isopropylidenebis(p-phenyleneoxy)]di- (7CI,8CI);

Article Data 12

4,4'-(4,4'-Isopropylidenediphenyl-1,1'-diyldioxy)dianiline Synthetic route

20653-11-6

2,2-bis(4-(4-nitrophenoxy)phenyl)propane

13080-86-9

2,2-bis-{4-(4-aminophenoxy)phenyl}propane

Conditions
ConditionsYield
With Ni-B/C; hydrazine hydrate In ethanol at 45 - 75℃; for 2h; Reagent/catalyst;98.2%
With palladium on activated charcoal; hydrogen In ethyl acetate at 20℃; under 2844.39 Torr; for 24h;95%
With palladium on activated charcoal; hydrogen In ethyl acetate at 20℃; under 2844.39 Torr; for 24h;95%
20653-11-6

2,2-bis(4-(4-nitrophenoxy)phenyl)propane

7803-57-8

hydrazine hydrate

13080-86-9

2,2-bis-{4-(4-aminophenoxy)phenyl}propane

Conditions
ConditionsYield
Stage #1: 2,2-bis[4-(4-nitrophenoxy)phenyl]propane With palladium 10% on activated carbon In ethanol at 50℃; Reflux;
Stage #2: hydrazine hydrate In ethanol at 80 - 90℃; for 3h;		85%
80-05-7

BPA

13080-86-9

2,2-bis-{4-(4-aminophenoxy)phenyl}propane

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: Na2CO3
2: Zn, AcOH
View Scheme
Multi-step reaction with 2 steps
1: potassium carbonate; N,N-dimethyl-formamide / 12 h / Reflux
2: palladium 10% on activated carbon; hydrazine / ethanol; water / 12.5 h / 85 °C / Reflux
View Scheme
Multi-step reaction with 2 steps
1: potassium carbonate / N,N-dimethyl-formamide / 24 h / 20 °C
2: palladium on activated charcoal; hydrogen / ethyl acetate / 24 h / 20 °C / 2844.39 Torr
View Scheme
Multi-step reaction with 2 steps
1.1: potassium carbonate / N,N-dimethyl-formamide / 48 h / 130 °C / Inert atmosphere
2.1: palladium 10% on activated carbon / ethanol / 2 h / 80 - 90 °C / Inert atmosphere
2.2: 48 h / Reflux
View Scheme
Multi-step reaction with 2 steps
1: potassium carbonate / N,N-dimethyl-formamide / 24 h / 20 °C / Inert atmosphere
2: palladium on activated charcoal; hydrogen / ethyl acetate / 24 h / 20 °C / 2844.39 Torr
View Scheme
100-00-5

4-chlorobenzonitrile

13080-86-9

2,2-bis-{4-(4-aminophenoxy)phenyl}propane

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: Na2CO3
2: Zn, AcOH
View Scheme
Multi-step reaction with 2 steps
1.1: potassium carbonate / N,N-dimethyl-formamide / 48 h / 130 °C / Inert atmosphere
2.1: palladium 10% on activated carbon / ethanol / 2 h / 80 - 90 °C / Inert atmosphere
2.2: 48 h / Reflux
View Scheme
350-46-9

4-Fluoronitrobenzene

13080-86-9

2,2-bis-{4-(4-aminophenoxy)phenyl}propane

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: potassium carbonate / N,N-dimethyl-formamide / 24 h / 20 °C
2: palladium on activated charcoal; hydrogen / ethyl acetate / 24 h / 20 °C / 2844.39 Torr
View Scheme
Multi-step reaction with 2 steps
1: potassium carbonate / N,N-dimethyl-formamide / 24 h / 20 °C / Inert atmosphere
2: palladium on activated charcoal; hydrogen / ethyl acetate / 24 h / 20 °C / 2844.39 Torr
View Scheme
di-tert-butyl dicarbonate

di-tert-butyl dicarbonate

13080-86-9

2,2-bis-{4-(4-aminophenoxy)phenyl}propane

2,2'-bis{4-[4-(t-butoxycarbonylamino)phenoxy]phenyl}propane

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran at 25 - 45℃; for 6.5h; Inert atmosphere;99%
796974-65-7

1,3-bis(4-bromobenzoyl)-5-tert-butylbenzene

13080-86-9

2,2-bis-{4-(4-aminophenoxy)phenyl}propane

polymer, Mn 7000, Mw 11000 by GPC; monomer(s): 1,3-bis(4-bromobenzoyl-5-tert-butyl)benzene; 2,2-bis[4-(4-aminophenoxy)phenyl]propane

polymer, Mn 7000, Mw 11000 by GPC; monomer(s): 1,3-bis(4-bromobenzoyl-5-tert-butyl)benzene; 2,2-bis[4-(4-aminophenoxy)phenyl]propane

Conditions
ConditionsYield
With 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; lithium chloride; sodium t-butanolate; tris(dibenzylideneacetone)dipalladium (0) In various solvent(s) at 165℃; Hartwig-Buchwald reaction;98%
796974-65-7

1,3-bis(4-bromobenzoyl)-5-tert-butylbenzene

13080-86-9

2,2-bis-{4-(4-aminophenoxy)phenyl}propane

polymer, Mn 10000, Mw 42000 by GPC; monomer(s): 1,3-bis(4-bromobenzoyl-5-tert-butyl)benzene; 2,2-bis[4-(4-aminophenoxy)phenyl]propane

polymer, Mn 10000, Mw 42000 by GPC; monomer(s): 1,3-bis(4-bromobenzoyl-5-tert-butyl)benzene; 2,2-bis[4-(4-aminophenoxy)phenyl]propane

Conditions
ConditionsYield
With 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; lithium chloride; sodium t-butanolate; tris(dibenzylideneacetone)dipalladium (0) In various solvent(s) at 100 - 165℃; Hartwig-Buchwald reaction;96%
13080-86-9

2,2-bis-{4-(4-aminophenoxy)phenyl}propane

90-02-8

salicylaldehyde

35948-25-5

9,10-dihydro-9-oxa-10-phosphaphenanthrene-10-oxide

1166187-87-6

P-BAPP-HB

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 20℃; for 12h;95%
13080-86-9

2,2-bis-{4-(4-aminophenoxy)phenyl}propane

708-06-5

2-hydroxynaphthalene-1-carbaldehyde

1236010-44-8

1,1'-{(propane-2,2-diyl)bis[(1,4-phenylene)oxy(1,4-phenylene)iminomethyl]}bis(2-naphthol)

Conditions
ConditionsYield
With formic acid In methanol; dichloromethane Reflux;95%

4,4'-(4,4'-Isopropylidenediphenyl-1,1'-diyldioxy)dianiline Specification

The IUPAC name of 4,4'-(4,4'-Isopropylidenediphenyl-1,1'-diyldioxy)dianiline is 4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]aniline. With the CAS registry number 13080-86-9, it is also named as 2,2'-Bis(4-aminophenoxyphenyl)propane. The product's categories are Organics; Miscellaneous; Bisphenol A type Compounds (for High-Performance Polymer Research); Functional Materials; Reagent for High-Performance Polymer Research, and the other registry number is 158066-25-2. In addition, its molecular formula is C27H26N2O2 and molecular weight is 410.51.

The other characteristics of this product can be summarized as: (1)EINECS: 235-985-8; (2)ACD/LogP: 5.19; (3)# of Rule of 5 Violations: 1; (4)ACD/LogD (pH 5.5): 5.01; (5)ACD/LogD (pH 7.4): 5.18; (6)ACD/BCF (pH 5.5): 3422.21; (7)ACD/BCF (pH 7.4): 5127.43; (8)ACD/KOC (pH 5.5): 10491.47; (9)ACD/KOC (pH 7.4): 15719.17; (10)#H bond acceptors: 4; (11)#H bond donors: 4; (12)#Freely Rotating Bonds: 8; (13)Index of Refraction: 1.641; (14)Molar Refractivity: 125.76 cm3; (15)Molar Volume: 348.4 cm3; (16)Surface Tension: 49.3 dyne/cm; (17)Density: 1.178 g/cm3; (18)Flash Point: 322.8 °C; (19)Melting Point: 127-130 °C; (20)Enthalpy of Vaporization: 87.67 kJ/mol; (21)Boiling Point: 587.1 °C at 760 mmHg; (22)Vapour Pressure: 9.1E-14 mmHg at 25 °C.

Uses of 4,4'-(4,4'-Isopropylidenediphenyl-1,1'-diyldioxy)dianiline: it can react with benzene-1,4-dicarbaldehyde to get C70H56N4O4.



This reaction needs chlorobenzene at temperature of 20 °C for 18 hours. The yield is 90 %.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. It is also harmful if swallowed. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
(1)SMILES: O(c1ccc(cc1)C(c3ccc(Oc2ccc(N)cc2)cc3)(C)C)c4ccc(cc4)N
(2)InChI: InChI=1/C27H26N2O2/c1-27(2,19-3-11-23(12-4-19)30-25-15-7-21(28)8-16-25)20-5-13-24(14-6-20)31-26-17-9-22(29)10-18-26/h3-18H,28-29H2,1-2H3
(3)InChIKey: KMKWGXGSGPYISJ-UHFFFAOYAK

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD skin > 8gm/kg (8000mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"		 National Technical Information Service. Vol. OTS0533991,
rat LD50 oral 308mg/kg (308mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: TREMOR

SKIN AND APPENDAGES (SKIN): HAIR: OTHER		 National Technical Information Service. Vol. OTS0533991,

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