2-[(4-methoxyphenyl)methoxy]-4-methylquinoline

• ChemBase ID: 141088
• Molecular Formular: C18H17NO2
• Molecular Mass: 279.33308
• Monoisotopic Mass: 279.12592879
• SMILES: Cc1cc(nc2c1cccc2)OCc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)COc1cc(C)c2c(n1)cccc2
• InChI: InChI=1S/C18H17NO2/c1-13-11-18(19-17-6-4-3-5-16(13)17)21-12-14-7-9-15(20-2)10-8-14/h3-11H,12H2,1-2H3
• InChIKey: NZVDQMQUHTVZAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4-methoxyphenyl)methoxy]-4-methylquinoline
• IUPAC Traditional name: 2-[(4-methoxyphenyl)methoxy]-4-methylquinoline
• Synonyms: PMBO-L; PMBO-lepidine; Dudley Reagent II; 2-(4-Methoxybenzyloxy)-4-methylquinoline; Dudley 试剂 II; PMBO-勒皮啶; 2-(4-甲氧基苄氧)-4-甲基喹啉

Database IDs

• CAS Number: 937184-70-8
• MDL Number: MFCD11656168
• PubChem SID: 162235323
• PubChem CID: 16126524

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.6460166
• LogD (pH = 7.4): 4.6478863
• Log P: 4.64791
• Molar Refractivity: 82.873 cm^3
• Polarizability: 33.388107 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 73-78 °C

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-37/38-41
• Safety Statements: 26-39
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H315-H318-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C18H17NO2

DETAILS

Sigma Aldrich - 701440

Packaging
1, 5 g in glass bottle
Legal Information
Sold under license from FSURF, US Patent Application Serial Nos. 60/827,763, 60/862,121 and related patents apply.
Application
Dudley Reagents
• Reagent for the protection of alcohols under relatively neutral1 and acidic2 reaction conditions