Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Bromotriphenylamine |
EINECS | 628-532-4 |
CAS No. | 36809-26-4 | Density | 1.369 g/cm3 |
PSA | 3.24000 | LogP | 5.91890 |
Solubility | N/A | Melting Point |
108-112 °C(lit.) |
Formula | C18H14BrN | Boiling Point | 419.1 °C at 760 mmHg |
Molecular Weight | 324.22 | Flash Point | 207.3 °C |
Transport Information | N/A | Appearance | whit powder or crystal |
Safety | 26-36/37 | Risk Codes | 22-36/37/38-43 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
Triphenylamine,4-bromo- (6CI);(4-Bromophenyl)diphenylamine;1-Bromo-4-(N,N-diphenylamino)benzene;4-(Diphenylamino)-1-bromobenzene;4-Bromo-N,N-diphenylaniline; |
Article Data | 132 |
1,4-bromoiodobenzene
diphenylamine
A
N,N,N',N'-tetraphenyl-p-phenylenediamine
B
4-N,N-diphenylamino-1-bromobenzene
Conditions | Yield |
---|---|
With copper(l) iodide; sodium t-butanolate In tetrahydrofuran at 60℃; for 12h; Catalytic behavior; Reagent/catalyst; Temperature; Ullmann Condensation; Inert atmosphere; chemoselective reaction; | A n/a B 98% |
With tris(dibenzylideneacetone)dipalladium(0) chloroform complex; tri-tert-butyl phosphine; sodium t-butanolate; triethylamine In hexane; toluene at 20℃; for 4h; | A 25% B 45% |
N,N-diphenylaminobenzene
4-N,N-diphenylamino-1-bromobenzene
Conditions | Yield |
---|---|
With N-Bromosuccinimide In tetrachloromethane for 4h; Reflux; | 94% |
With N-Bromosuccinimide In tetrachloromethane for 4h; Heating; | 93% |
With N-Bromosuccinimide In tetrachloromethane for 4h; Inert atmosphere; Reflux; | 93% |
Conditions | Yield |
---|---|
With tri-tert-butyl phosphine; palladium diacetate; sodium t-butanolate In toluene at 115℃; for 10h; Inert atmosphere; | 91% |
With (2-chloro-(5-trifluoromethylphenyl)pyridin-2-ylethylamine)(triphenylphosphine)copper(I) perchlorate; potassium tert-butylate In toluene at 90℃; for 12h; Inert atmosphere; | 65% |
With C39H33CuF3N2P2(1+)*ClO4(1-); potassium tert-butylate In toluene at 90℃; for 12h; Inert atmosphere; | 64% |
Conditions | Yield |
---|---|
With copper chromium oxide; potassium hydroxide In toluene for 10h; Ullmann Condensation; Inert atmosphere; Reflux; Green chemistry; | 84% |
With 1,10-Phenanthroline; copper(I) iodide; potassium hydroxide In toluene for 12h; Ullmann Condensation; Inert atmosphere; Reflux; Green chemistry; | 77% |
With 1,10-Phenanthroline; copper(l) chloride; potassium hydroxide In toluene Ullmann Condensation; Inert atmosphere; Dean-Stark; Reflux; | 74% |
Conditions | Yield |
---|---|
With tris-(dibenzylideneacetone)dipalladium(0); tri-tert-butyl phosphine; sodium t-butanolate In toluene at 70℃; | 80% |
With palladium diacetate; sodium t-butanolate In toluene Reflux; Inert atmosphere; | 79% |
With palladium diacetate; sodium t-butanolate In toluene Inert atmosphere; | 78% |
Conditions | Yield |
---|---|
With 1,1'-bis(diphenylphosphino)ferrocene; palladium diacetate; sodium t-butanolate In toluene at 90℃; for 15h; Buchwald-Hartwig coupling; Inert atmosphere; | 65% |
With 1,10-Phenanthroline; potassium hydroxide; copper(I) bromide In o-xylene for 72h; Ullmann reaction; Inert atmosphere; Reflux; | 63.5% |
Stage #1: 1.4-dibromobenzene With tris-(dibenzylideneacetone)dipalladium(0); 1,1'-bis(diphenylphosphino)ferrocene; sodium t-butanolate In toluene at 25℃; for 0.25h; Stage #2: diphenylamine In toluene at 90℃; for 15h; | 59% |
iodobenzene
Phenanthroline
4-bromo-aniline
4-N,N-diphenylamino-1-bromobenzene
Conditions | Yield |
---|---|
With potassium hydroxide | 65% |
Conditions | Yield |
---|---|
With copper; potassium carbonate; diphenylamine | 35% |
Conditions | Yield |
---|---|
(i) Cu, (heating), (ii) Zn, AcOH; Multistep reaction; |
1,4-bromoiodobenzene
copper
diphenylamine
4-N,N-diphenylamino-1-bromobenzene
Conditions | Yield |
---|---|
With potassium carbonate In methanol; hexane; toluene; decalin |
1.Introduction of 4-Bromotriphenylamine
The 4-Bromotriphenylamine , with its cas register number 36809-26-4, is a kind of white powder or crystal. It also can be called4-Bromo-N,N-diphenylaniline ; Triphenylamine,4-bromo- (6CI) ; (4-Bromophenyl)diphenylamine and 1-Bromo-4-(N,N-diphenylamino)benzene. 4-Bromotriphenylamine should be stored in shady and cool warehouse.
2.Properties of 4-Bromotriphenylamine
(1) XLogP3 6.4 (2) H-Bond Acceptor 1 (3) Rotatable Bond Count 3
(4) Exact Mass 323.030962 (5) MonoIsotopic Mass 323.030962 (6) Topological Polar Surface Area 3.2
(7) Heavy Atom Count 20 (8) Complexity 255 (9) Covalently-Bonded Unit Count 1
(10) Feature 3D Cation Count 1 (11) Feature 3D Hydrophobe Count 1 (12) Feature 3D Ring Count 3
(13) Effective Rotor Count 3 (14) Conformer Sampling RMSD 0.6 (15) CID Conformer Count 5
3.Structure descriptors of 4-Bromotriphenylamine
IUPAC Name: 4-bromo-N,N-diphenylaniline
InChI: InChI=1S/C18H14BrN/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
InChIKey: SQTLUXJWUCHKMT-UHFFFAOYSA-N
Canonical SMILES : C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)Br
4. Safety information of 4-Bromotriphenylamine
Hazard Codes: Xn
Risk Statements: 22-36/37/38-43
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
R43:May cause sensitization by skin contact.
Safety Statements: 26-36/37
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37:Wear suitable protective clothing and gloves.
WGK Germany: 3