157220-77-4

Basic information

• Product Name: 2-Phenanthrenol, 3-bromo-4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-1-(1-methylethyl)-, (4bS,8aS)-
• Synonyms: 2-Phenanthrenol, 3-bromo-4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-1-(1-methylethyl)-, (4bS,8aS)-
• CAS NO: 157220-77-4
• Molecular Formula: C20H29 Br O
• Molecular Weight: 365.35
• Mol File: 157220-77-4.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 386.7±42.0 °C(Predicted)
• Appearance: /
• Density: 1.193±0.06 g/cm3(Predicted)
• PKA: 9.37±0.60(Predicted)
• CAS DataBase Reference: 2-Phenanthrenol, 3-bromo-4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-1-(1-methylethyl)-, (4bS,8aS)-(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Phenanthrenol, 3-bromo-4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-1-(1-methylethyl)-, (4bS,8aS)-(157220-77-4)
• EPA Substance Registry System: 2-Phenanthrenol, 3-bromo-4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-1-(1-methylethyl)-, (4bS,8aS)-(157220-77-4)

Safety Data

• Hazardous Substances Data: 157220-77-4(Hazardous Substances Data)

Upstream product

• 511-15-9 trans-totarol 

Relevant articles and documents

The synthesis and antibacterial activity of totarol derivatives. Part 2: Modifications at C-12 and O-13

Alterations of the C-12 and C-13 aromatic ring substituents of totarol (1) afforded the series of derivatives 2-14, and introduction of substituents at C-12 gave exclusively 2a-14a. The majority of these analogues were tested in vitro against the following organisms: β-lactamase-positive and high level gentamycin-resistant Enterococcus faecalis, penicillin-resistant Streptococcus pneumoniae, methicillin-resistant Staphylococcus aureus (MRSA), and multiresistant Klebsiella pneumoniae. The results were evaluated in terms of structure-activity relationship which reveals that: (a) the phenolic moiety at C-13, in general, is essential for antibacterial activity at 32 μg/mL against Gram-positive species, and (b) derivatization at C-12 has an undesirable effect on the antibacterial activity of this class of compounds, while (c) all compounds tested are ineffective against the Gram-negative Klebsiella pneumoniae. Copyright (C) 2000 Elsevier Science Ltd.