Grundinformationen
- Standard-SMILES
CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1- InChIKey
ZEMZPXWZVTUONV-UHFFFAOYSA-N- Summenformel
- C26H36NP
- Durchschnittliche Molmasse
- 393,5 g/mol
- Monoisotopische Masse
- 393,25853678
Namen und Bezeichner
- Bevorzugter Name
- 2-(Dicyclohexylphosphino)-2'-(dimethylamino)biphenyl
- IUPAC
- 2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline
- Englischer Name
- 2-Dicyclohexylphosphino-2'-(N,N-dimethylamino)biphenyl
- Summenformel
- C26H36NP
- Molmasse
- 393.54
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
213697-53-1- PubChem CID
- 2734217
- DTXSID
DTXSID20370171- UNII
- 9877ONU78F
- EC Number
- 606-749-5
- Nikkaji
- J1.009.873D、J3.446.379D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 6,9
- Polarare Oberfläche (TPSA)
- 3,2 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 28
- Formalladung
- 0
- Komplexität
- 433
Physikochemische Eigenschaften
- Schmelzpunkt
- 121 · 121-124 °C(lit.)
- Siedepunkt
- 539.6 · 539.6±43.0 °C(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 5.04 · 5.04±0.18(Predicted)
- Aggregatzustand
- crystal
- Farbe
- white
- Wasserlöslichkeit
- Insoluble
- InChI
- InChI=1S/C26H36NP/c1-27(2)25-19-11-9-17-23(25)24-18-10-12-20-26(24)28(21-13-5-3-6-14-21)22-15-7-4-8-16-22/h9-12,17-22H,3-8,13-16H2,1-2H3
- InChIKey
- ZEMZPXWZVTUONV-UHFFFAOYSA-N
- SMILES
- C1(C2=CC=CC=C2P(C2CCCCC2)C2CCCCC2)=CC=CC=C1N(C)C
- CAS Datenbank
- 213697 · 213697-53-1(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (98.9%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 87 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Sicherheitsdaten
- wgk
- 3
- tsca
- No
- hs_code
- 29310099
- risk_code
- 36/37/38-22
- hazard_code
- Xi,Xn
- safety_code
- 26-36/37/39
- hazard_class
- AIR SENSITIVE
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
Beschreibung2-Dicyclohexylphosphino-2'-(N,N-dimethylamino)biphenyl is a potent inhibitor of the enzyme bromodomain. Bromodomain has been implicated in cancer and other diseases. It binds to the bromodomain in a covalent manner, blocking the ATP site and inhibiting bromodomain function. This inhibition has been shown to be selective for bromodomains over other domains.
Verwenden2-Dicyclohexylphosphino-2'-(N,N-dimethylamino)biphenyl can act as ligand used in the palladium-catalyzed Suzuki coupling and amination of unactivated aryl chlorides.
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