5-(2-chloroethylidene)-10,11-dihydro-5H-dibenzo[a,d]cycloheptene
Grundinformationen
- CAS
40443-01-4- Standard-SMILES
ClCC=C1c2ccccc2CCc2ccccc21- InChIKey
BTUNEMWPKFRTJY-UHFFFAOYSA-N- Summenformel
- C17H15Cl
- Durchschnittliche Molmasse
- 254,8 g/mol
- Monoisotopische Masse
- 254,0862282
Namen und Bezeichner
- Bevorzugter Name
- 5-(2-chloroethylidene)-10,11-dihydro-5H-dibenzo[a,d]cycloheptene
- IUPAC
- 2-(2-chloroethylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
- Englischer Name
- 5-(2-chloroethylidene)-10,11-dihydro-5H-dibenzo[a,d][7]annulene
- Summenformel
- C17H15Cl
- Molmasse
- 254.75
Namen und Synonyme
5-(2-chloroethylidene)-10,11-dihydro-5H-dibenzo[a,d]cycloheptene40443-01-42-(2-Chloroethylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaeneSCHEMBL8636218BTUNEMWPKFRTJY-UHFFFAOYSA-N5H-Dibenzo[a,d]cycloheptene, 5-(2-chloroethylidene)-10,11-dihydro- (7CI, 9CI, ACI)5-(2-chloroethylidene)-10,11-dihydro-5H-dibenzo[a,d][7]annulene2-chloro-1-(10,11-dihydrodibenzo-(a,d)-cyclohept-5-yliden)-ethane5H-Dibenzo[a,d]cycloheptene, 5-(2-chloroethylidene)-10,11-dihydro-
Datenbank-Bezeichner
- CAS
40443-01-4- PubChem CID
- 12492807
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,1
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 281
Physikochemische Eigenschaften
- Siedepunkt
- 391.9 · 391.9±11.0 °C(Predicted)
- Dichte
- 1.199 · 1.199±0.06 g/cm3(Predicted)
Chemie und Industrie
Anwendungen
Verwenden5-(2-Chloroethylidene)-10,11-dihydro-5H-Dibenzo[a,d]cycloheptene is used as a regeant in the synthesis of [(dihydrodibenzocyclohepthylidene)ethyl]piperazine derivatives which exhibit vasodilatory activity similar to common drugs such as cinnarizine and flunarizine. It may also be used in the preparation of N-(dihydrodibenzocycloheptenylideneethyl)ephedrines which are anti-ulcer agents.
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