3-Borono-4-methylbenzoic acid
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3-Borono-4-methylbenzoic acid
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CAS No:
170230-88-3
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Formula:
C8H9BO4
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Chemical Name:
3-Borono-4-methylbenzoic acid
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Synonyms:
Benzoic acid,3-borono-4-methyl-;3-Borono-4-methylbenzoic acid;1346011-76-4
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CAS No:
Characteristics
77.8
1.34±0.1 g/cm3(Predicted)
157-167 °C
446.8±55.0 °C(Predicted)
Room temperature.
3-Borono-4-methylbenzoic acid Use and Manufacturing
3-Bromo-4-methylbenzoic acid (11.00 g, 51.2 mmol) was dissolved in anhydrous THF (150 ml) under argon in a 500 ml 3-necked round bottom flask fitted with two dropping funnels and argon inlet. The stirred solution was cooled to -78°C and n-BuLi (1.6M in hexane, 60.7 ml, 97.0 mmol) was added drop wise from a dropping funnel (during lh). After completion of the addition, the solution was stirred at -78°C for another 1 h. To this, B(OMe)3-Bromo-4-methylbenzoic acid (11.00 g, 51.2 mmol) was dissolved in anhydrous THF (150 ml) under argon in a 500 ml 3-necked round bottom flask fitted with two dropping funnels and argon inlet. The stirred solution was cooled to -78°C and n-BuLi (1.6M in hexane, 60.7 ml, 97.0 mmol) was added drop wise from a dropping funnel (during lh). After completion of the addition, the solution was stirred at -78°C for another 1 h. To this, B(OMe)
Computed Properties
Molecular Weight:179.97
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:180.0593889
Monoisotopic Mass:180.0593889
Topological Polar Surface Area:77.8
Heavy Atom Count:13
Complexity:195
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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