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(4-Vinylphenyl)methanol

(4-Vinylphenyl)methanol structure

CAS No:
1074-61-9
Formula:
C9H10O
Chemical Name:
(4-Vinylphenyl)methanol
Synonyms:
4-vinylbenzylalcoho;4-VINYLBENZYLALCOHOL;P-VINYLBENZYLALCOHOL;3-VINYLBENZYLALCOHOL;(4-ethenylphenyl)methanol;(4-VINYL-PHENYL)-METHANOL;4-VINYLBENZYLALCOHOL/3-VINYLBENZYLALCOHOL;4-Vinylbenzylalcohol,stabilizedwith0.1%p-tert-butylcatechol
Categories:
Organic Chemistry > Organic Fluorine Compound

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(4-Vinylphenyl)methanol Basic Attributes

Molecular Weight：

134.18

Exact Mass：

134.073166

UNII：

6BHO7I62RA

DSSTox ID：

DTXSID80370612

HScode：

2906299090

Characteristics

PSA：

20.2

XLogP3：

Density：

1.038±0.06 g/cm3(Predicted)

Boiling Point：

132-137 °C(Press: 15 Torr)

Flash Point：

115.4±14.5 °C

Refractive Index：

1.590

(4-Vinylphenyl)methanol Use and Manufacturing

As previously reported in the literature A solution of 4-vinylbenzoic acid (500 mg, 3.37 mmol) in Et20 (25 mL) was added dropwise to a 0°C slurry of L1AIH4 (758 mg, 19.97 mmol) in THF (80 mL) (K.S. Bloome, et al, Palladium-catalyzed Heck-type reactions of alkyl iodides, J Am Chem Soc 133 (2011) 20146-20148, 2011) The reaction mixture was warmed to room temperature and stirred for one hour. The reaction was quenched via the following workup: 256 μ, water added slowly, followed by the addition of 512 μ, of 10 wt percent NaOH solution, and then 768 μ, water. The mixture was stirred vigorously until a white solid was formed. The crude reaction mixture was filtered, and the supernatant was dried (anhydrous a2S0General procedure: In a glovebox, aldehydes (0.25 mmol) and the Hantzsch ester 1 (95 mg, 0.38 mmol) were added to asolution of tris[3, 5-bis(trifluoromethy)phenyl]borane (9) (8.1 mg, 12.5 μmol) in 1 mL of anhydrous1, 4-dioxane. The reaction mixture was stirred at 25 or 100 C for 12 h. An internal standard (biphenylor mesitylene) was added to the reaction mixture and filtrated through a cotton plug. The resultingsolution was analyzed with gas chromatography.

Computed Properties

Molecular Weight:134.17
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:134.073164938
Monoisotopic Mass:134.073164938
Topological Polar Surface Area:20.2
Heavy Atom Count:10
Complexity:101
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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