1,1-bis(4-METHOXYPHENYL)-2-PROPYN-1-OL
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1,1-bis(4-METHOXYPHENYL)-2-PROPYN-1-OL
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CAS No:
101597-25-5
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Formula:
C17H16O3
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Chemical Name:
1,1-bis(4-METHOXYPHENYL)-2-PROPYN-1-OL
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Synonyms:
1,1-bis(4-METHOXYPHENYL)-2-PROPYN-1-OL;BenzeneMethanol, a-ethynyl-4-Methoxy-a-(4-Methoxyphenyl)-;1,1-Di(4-methoxyphenyl)prop-2-yn-1-ol;1,1-Bis(4-methoxyphenyl)prop-2-yn-1-ol
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CAS No:
1,1-bis(4-METHOXYPHENYL)-2-PROPYN-1-OL Basic Attributes
268.30714
268.11000
1592732-453-0
DTXSID10405188
1,1-bis(4-METHOXYPHENYL)-2-PROPYN-1-OL Use and Manufacturing
General procedure: To a solution of (trimethylsilyl)acetylene (4.5 g, 45 mmol) in anhydrous THF (150 mL) under nitrogen atmosphere was added slowly n-BuLi (1.6 M in hexane, 28.5 mL, 45 mmol) at -10°C and the solution stirred 1h at - 10°C. A solution of benzophenone (7.44 g, 40.8 mmol) in dry THF (75 mL) was then added at -10°C. After 3h stirring at -10°C, the temperature was raised to 0°C and a solution of NaOH (2.16 g, 54 mmol) in MeOH (40, 8 mL) was added. After the solution was warmed to room temperature, the solution was neutralized to pH 7 with acetic acid and the resulting solution poured into water (546 mL). The organic layer was extracted with EA (3x105 mL). The combined organic layers were dried over MgSOEthynylmagnesium bromide (4 mmol, 0.5 M in THF) was added to the suspension of ketone 15 (0.5 g, 2.0 mmol) in THF (2 mL) at 25 °C. 18W percent sodium acetylide in xylene/mineral oil 121.1mL (0.45mol, 1eq) was dissolved in anhydrous THF (1L) saturated with acetylene gas. After that 4, 4-dimethoxybenzophenone 100g (0.41mol, 1eq) was put inside the reaction mixture under nitrogen and stirred for 24h at room temperature. The product was extracted by solvent extraction using ethyl acetate and water, organic layer was dried with MgSO
Computed Properties
Molecular Weight:268.31
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:268.109944368
Monoisotopic Mass:268.109944368
Topological Polar Surface Area:38.7
Heavy Atom Count:20
Complexity:317
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1,1-bis(4-METHOXYPHENYL)-2-PROPYN-1-OL
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