Benzoic acid, 4-((5,6,7,8-tetrahydro-5,5-dimethyl-8-oxo-2-naphthalenyl)ethynyl)-, ethyl ester

HCID 3025901CAS 166978-49-0

Grundinformationen

Standard-SMILES
CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(=O)CCC3(C)C)cc1
InChIKey
HKLPOHJGESDTSC-UHFFFAOYSA-N
Summenformel
C23H22O3
Durchschnittliche Molmasse
346,4 g/mol
Monoisotopische Masse
346,15689456

Namen und Bezeichner

Bevorzugter Name
Benzoic acid, 4-((5,6,7,8-tetrahydro-5,5-dimethyl-8-oxo-2-naphthalenyl)ethynyl)-, ethyl ester
IUPAC
ethyl 4-[2-(5,5-dimethyl-8-oxo-6,7-dihydronaphthalen-2-yl)ethynyl]benzoate
Englischer Name
4-[2-(5,6,7,8-Tetrahydro-5,5-dimethyl-8-oxo-2-naphthalenyl)ethynyl]benzoic Acid Ethyl Ester
Summenformel
C23H22O3
Molmasse
346.42

Namen und Synonyme

166978-49-04-[2-(5,6,7,8-TETRAHYDRO-5,5-DIMETHYL-8-OXO-2-NAPHTHALENYL)ETHYNYL]BENZOIC ACID ETHYL ESTERBenzoic acid, 4-((5,6,7,8-tetrahydro-5,5-dimethyl-8-oxo-2-naphthalenyl)ethynyl)-, ethyl esterethyl 4-[2-(5,5-dimethyl-8-oxo-6,7-dihydronaphthalen-2-yl)ethynyl]benzoateEthyl 4-((5,6,7,8-tetrahydro-5,5-dimethyl-8-oxo-2-naphthalenyl)ethynyl)benzoateethyl 4-[(5,5-dimethyl-8-oxo-5,6,7,8-tetrahydronaphthalen-2-yl)ethynyl]benzoateEthyl 4-[(5,6,7,8-tetrahydro-5,5-dimethyl-8-oxo-2-naphthalenyl)ethynyl]benzoateBenzoic acid, 4-[2-(5,6,7,8-tetrahydro-5,5-dimethyl-8-oxo-2-naphthalenyl)ethynyl]-, ethyl esterEthyl 4-((5,5-dimethyl-8-oxo-5,6,7,8-tetrahydronaphthalen-2-yl)ethynyl)benzoateethyl 4-((5,6,7,8-tetrahydro-8,8-dimethyl-5-oxonaphth-3-yl)ethynyl]benzoateEthyl 4-[(5,6,7,8-tetrahydro-8,8-dimethyl-5-oxonaphth-3-yl)ethynyl]benzoateHKLPOHJGESDTSC-UHFFFAOYSA-N
Weitere Namen anzeigen
Ethyl 4-[2-(5,6,7,8-Tetrahydro-5,5-diMethyl-8-oxo-2-naphthalenyl)ethynyl]benzoate
SCHEMBL6236817DTXSID40168214AKOS030240244Benzoic acid,4-[2-(5,6,7,8-tetrahydro-5,5-dimethyl-8-oxo-2-naphthalenyl)ethynyl]-, ethylesterDB-342768ethyl 4- [(5,6,7,8 -tetrahydro-8,8-dimethyl-5-oxonaphth-3-yl)ethynyl]benzoateEthyl 4- [(5,6,7,8-tetrahydro-8,8-dimethyl-5-oxonaphth-3-yl ) ethynyl]benzoateethyl 4-[(5,6,7,8 -tetrahydro-8,8 -dimethyl-5-oxonaphth-3-yl)ethynyl]benzoate

Datenbank-Bezeichner

CAS
166978-49-0
PubChem CID
3025901
DTXSID
DTXSID40168214
Nikkaji
J1.056.046B

Eigenschaften

Berechnete Struktureigenschaften

XLogP
5,1
Polarare Oberfläche (TPSA)
43,4 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
5
Schwere Atome
26

Physikochemische Eigenschaften

Schmelzpunkt
147 oC · >147oC (dec.)
Löslichkeit
Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand
Solid
Farbe
Pale Brown to Brown

Chemie und Industrie

Anwendungen

VerwendenIntermediate in the production of high affinity retinoic acid receptor (RAR) antagonists.

Anbieter9 Anbieter

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