4-Tricyclo[3.3.1.13,7]dec-1-YL[1,1':3',1''-terphenyl]-4'-amine
Grundinformationen
- CAS
2086312-08-3- Standard-SMILES
Nc1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1-c1ccccc1- InChIKey
UZAZWEOBCTYWQI-UHFFFAOYSA-N- Summenformel
- C28H29N
- Durchschnittliche Molmasse
- 379,5 g/mol
- Monoisotopische Masse
- 379,22999993
Namen und Bezeichner
- Bevorzugter Name
- 4-Tricyclo[3.3.1.13,7]dec-1-YL[1,1':3',1''-terphenyl]-4'-amine
- IUPAC
- 4-[4-(1-adamantyl)phenyl]-2-phenylaniline
- Englischer Name
- [1,1':3',1''-Terphenyl]-4'-amine, 4-tricyclo[3.3.1.13,7]dec-1-yl-
- Summenformel
- C28H29N
- Molmasse
- 379.54
Namen und Synonyme
2086312-08-34-TRICYCLO[3.3.1.13,7]DEC-1-YL[1,1':3',1''-TERPHENYL]-4'-AMINESCHEMBL20639566SCHEMBL29456719H671164-Tricyclo[3.3.1.13,7]dec-1-yl[1,1 inverted exclamation marka:3 inverted exclamation marka,1 inverted exclamation marka inverted exclamation marka-terphenyl]-4 inverted exclamation marka-amine4-(adamantan-1-yl)-[1,1':3',1''-terphenyl]-4'-amine4-(adamantane-1-yl)-[1,1':3',1"-tetraphenyl]-4'-amine4-tricyclo[3.3.1.13,7]dec-1-yl-[1,1':3',1''-Terphenyl]-4'-amine1,1':3',1''-Terphenyl]-4'-amine, 4-tricyclo[3.3.1.13,7]dec-1-yl-[1,1':3',1''-Terphenyl]-4'-amine, 4-tricyclo[3.3.1.13,7]dec-1-yl-
Datenbank-Bezeichner
- CAS
2086312-08-3- PubChem CID
- 137407117
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 7,9
- Polarare Oberfläche (TPSA)
- 26 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 29
- Formalladung
- 0
- Komplexität
- 526
Physikochemische Eigenschaften
- Siedepunkt
- 529.5 · 529.5±29.0 °C(Predicted)
- Dichte
- 1.145 · 1.145±0.06 g/cm3(Predicted)
- pka
- 3.52 · 3.52±0.10(Predicted)
- InChI
- InChI=1S/C28H29N/c29-27-11-8-24(15-26(27)23-4-2-1-3-5-23)22-6-9-25(10-7-22)28-16-19-12-20(17-28)14-21(13-19)18-28/h1-11,15,19-21H,12-14,16-18,29H2
- InChIKey
- UZAZWEOBCTYWQI-UHFFFAOYSA-N
- SMILES
- C1(C2=CC=C(N)C(C3=CC=CC=C3)=C2)=CC=C(C23CC4CC(CC(C4)C2)C3)C=C1
Chemie und Industrie
Anwendungen
Verwenden[1,1':3',1''-Terphenyl]-4'-amine, 4-tricyclo[3.3.1.13,7]dec-1-yl-, also known as 4-(adamantane-1-yl)-[1,1':3',1“-terphenyl]-4’-amine, is an intermediate of photoelectric materials.
Darstellung
synthetischeIn a 3000L reactor, add 285kg of adamantyl phenyl triflate, 327.88kg of potassium carbonate, and 560L of water. Also, add 1000L of toluene, 304kg of boron ester, and 2.78kg of Pd (PPh ) Cl. Heat the mixture to 95°C and maintain reflux at this temperature. Monitor the progress of the reaction in the liquid phase. After completion, allow the mixture to separate into water and organic phases. Wash the organic phase twice with hot water. Add 5kg of activated carbon to the organic phase for decolorization. Filter the mixture and concentrate the toluene. To obtain a solid product, add ethanol and cool to 20°C. Perform suction filtration to obtain a powdery white solid. Repeat crystallization from toluene and ethanol three times to further purify the product [1,1':3',1''-Terphenyl]-4'-amine, 4-tricyclo[3.3.1.13,7]dec-1-yl-.
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