2-naphthalen-1-ylpropan-2-ol
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2-naphthalen-1-ylpropan-2-ol
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CAS No:
6301-54-8
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Formula:
C13H14O
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Chemical Name:
2-naphthalen-1-ylpropan-2-ol
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Synonyms:
2-naphthalen-1-ylpropan-2-ol;α,α-Dimethylnaphthalene-1-methanol;α,α-Dimethyl-1-naphthalenemethanol;ALPHA,ALPHA-DIMETHYL-1-NAPHTHALENEMETHANOL
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CAS No:
Characteristics
20.2
3.2
1.087±0.06 g/cm3(Predicted)
80 °C(Solv: ligroine (8032-32-4))
327.1°C at 760 mmHg
Safety Information
P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-naphthalen-1-ylpropan-2-ol Use and Manufacturing
To a stirred solution of 1-bromonaphthalene (12, 41.41 g, 0.2 mol) in dried THF (400 mL) held at -78 °C in NGeneral procedure: To a suspension of Mg (turnings) (0.293 g, 12.1 atom) in anhy-drous Et2O (17.5 mL) was dropwise added MeI (1.90 g, 13.4 mmol) at0C. The suspension was stirred for 1.5 h at room temperature untilMg was disappeared. To the solution was dropwise added 4-methylacetophenone (1.36 g, 10.1 mmol) at 0C, and the mixturewas stirred for 12 h at room temperature. To the reaction mixturewas added H2O (25 mL) and saturated aqueous NH4Cl (25 mL). Afterbeing extracted with EtOAc (30 mL 3), the organic layer was driedwith MgSO4. After the concentration, 2-(4-tolyl)proan-2-ol (1.44 g, 9.55 mmol) was obtained in 94percent yield as colorless oil.
Computed Properties
Molecular Weight:186.25
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:186.104465066
Monoisotopic Mass:186.104465066
Topological Polar Surface Area:20.2
Heavy Atom Count:14
Complexity:197
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes