4-{[6-(Methacryloyloxy)hexyl]oxy}benzenecarboxylic acid
Grundinformationen
- CAS
91652-00-5- Standard-SMILES
C=C(C)C(=O)OCCCCCCOc1ccc(C(=O)O)cc1- InChIKey
KAGIRXVDTGQWKF-UHFFFAOYSA-N- Summenformel
- C17H22O5
- Durchschnittliche Molmasse
- 306,4 g/mol
- Monoisotopische Masse
- 306,1467238
Namen und Bezeichner
- Bevorzugter Name
- 4-{[6-(Methacryloyloxy)hexyl]oxy}benzenecarboxylic acid
- IUPAC
- 4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoic acid
- Englischer Name
- 4-([6-(Methacryloyloxy)hexyl]oxy)benzenecarboxylic acid
- Summenformel
- C17H22O5
- Molmasse
- 306.35
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
91652-00-5- PubChem CID
- 3730344
- DTXSID
DTXSID30395638- ChEMBL
CHEMBL1305422- Nikkaji
- J680.715A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,7
- Polarare Oberfläche (TPSA)
- 72,8 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 11
- Schwere Atome
- 22
- Formalladung
- 0
- Komplexität
- 369
Physikochemische Eigenschaften
- Schmelzpunkt
- 75 · 75-79 °C(Solv: isopropanol (67-63-0))
- Siedepunkt
- 457.9 · 457.9±25.0 °C(Predicted)
- Dichte
- 1.122 · 1.122±0.06 g/cm3(Predicted)
- pka
- 4.48 · 4.48±0.10(Predicted)
- InChI
- InChI=1S/C17H22O5/c1-13(2)17(20)22-12-6-4-3-5-11-21-15-9-7-14(8-10-15)16(18)19/h7-10H,1,3-6,11-12H2,2H3,(H,18,19)
- InChIKey
- KAGIRXVDTGQWKF-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=CC=C(OCCCCCCOC(=O)C(C)=C)C=C1
Sicherheit und Regulatorisches
Sicherheitsdaten
- Alarmwort
- Warnung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302
Chemie und Industrie
Anwendungen
Verwenden4-{[6-(Methacryloyloxy)hexyl]oxy}benzenecarboxylic acid is a useful research chemical compound.
Darstellung
synthetischeThe preparation of 4-([6-(methacryloyloxy)hexyl]oxy)benzenecarboxylic acid is as follows:6-(4-Formylphenoxy)hexyl methacrylate in an amount of 116.14 g, 2100 mL of methanol, an aqueous sodium dihydrogen phosphate solution (obtained by dissolving 43 g of sodium dihydrogen phosphate dihydrate in 570 mL of water) and 73 mL of a 30% hydrogen peroxide solution were added one by one. An aqueous sodium chlorite solution (obtained by dissolving 61.9 g of sodium chlorite with the purity of 80% in 500 mL of water) was added by dropping. After dropping, the reaction liquid was stirred at 45° C. for 3 hours, and the reaction was finished. After slowly cooling the reaction liquid to 20° C., 2250 mL of water was dropped to the reaction liquid, and a solid was precipitated. The solid was collected by filtration, and 72.7 g of 4-((6-(methacryloyloxy)hexyl)oxy)benzoic acid was thus obtained.
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