Grundinformationen
- Standard-SMILES
COC(=O)c1ccc(-c2ccc(C)cc2)cc1- InChIKey
NSUWJKRQGXBISO-UHFFFAOYSA-N- Summenformel
- C15H14O2
- Durchschnittliche Molmasse
- 226,27 g/mol
- Monoisotopische Masse
- 226,09937969
Namen und Bezeichner
- Bevorzugter Name
- [1,1'-Biphenyl]-4-carboxylic acid, 4'-methyl-, methyl ester
- IUPAC
- methyl 4-(4-methylphenyl)benzoate
- Lokaler Name
- Methyl-4'-methyl[1,1'-biphenyl]-4-carboxylat
- Englischer Name
- Methyl 4'-methylbiphenyl-4-carboxylate
- Summenformel
- C15H14O2
- Molmasse
- 226.27
Namen und Synonyme
49742-56-5methyl 4'-methyl-[1,1'-biphenyl]-4-carboxylate[1,1'-Biphenyl]-4-carboxylic acid, 4'-methyl-, methyl esterEINECS 256-454-7DTXSID1068512Methyl 4'-methyl-(1,1'-biphenyl)-4-carboxylate(1,1'-Biphenyl)-4-carboxylic acid, 4'-methyl-, methyl esterRefChem:68068DTXCID3040728methyl 4'-methylbiphenyl-4-carboxylatemethyl 4-(4-methylphenyl)benzoateMethyl 4'-methyl[1,1'-biphenyl]-4-carboxylate
Weitere Namen anzeigen
Methyl4'-methylbiphenyl-4-carboxylate,95%4'-Methyl-4'-Methyl Biphenyl Carboxylic Acid4'-Methyl-4-biphenylcarboxylic acid methyl ester[1,1-BIPHENYL]-4-CARBOXYLIC ACID, 4-METHYL-, METHYL ESTERMethyl 4-(p-tolyl)benzoate, 4-(Methoxycarbonyl)-4'-methylbiphenyl, 4-[4-(Methoxycarbonyl)phenyl]toluene
4'-Methyl-biphenyl-4-carboxylic acid methyl esterMFCD05979484Methyl 4-(p-tolyl)benzoateMethyl 4'-methyl(1,1'-biphenyl)-4-carboxylateMethyl4'-methylbiphenyl-4-carboxylate4-(4-Methylphenyl)benzoic acid methyl ester4'-Methylbiphenyl-4-carboxylic acid methyl esterSCHEMBL2275652
Datenbank-Bezeichner
- CAS
49742-56-5- PubChem CID
- 170805
- DTXSID
DTXSID1068512- EC Number
- 256-454-7
- Nikkaji
- J21.990H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,3
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 246
Physikochemische Eigenschaften
- Schmelzpunkt
- 115 · 115-116 °C
- Siedepunkt
- 350.1 · 350.1±21.0 °C(Predicted)
- Dichte
- 1.083 · 1.083
- Aggregatzustand
- powder
- Farbe
- White
- EPA chemische Informationen
- 1 · [1,1'-Biphenyl]-4-carboxylic acid, 4'-methyl-, methyl ester (49742-56-5)
Sicherheit und Regulatorisches
Sicherheitsdaten
- tsca
- TSCA listed
- hs_code
- 2916399090
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information[1,1'-Biphenyl]-4-carboxylic acid, 4'-methyl-, methyl ester: ACTIVE
Anwendungen
VerwendenMethyl 4''-Methylbiphenyl-4-carboxylate is used in the preparation of ionic compound-supported palladium complex as catalyst for suzuki-Miyaura coupling of aryl halides.
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