B-(3-Fluoro-4′-propyl[1,1′-biphenyl]-4-yl)boronic acid
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![B-(3-Fluoro-4′-propyl[1,1′-biphenyl]-4-yl)boronic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/a2e074578acc4f648f41d1d52e281aa1.png "B-(3-Fluoro-4′-propyl[1,1′-biphenyl]-4-yl)boronic acid")
B-(3-Fluoro-4′-propyl[1,1′-biphenyl]-4-yl)boronic acid
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CAS No:
909709-42-8
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Formula:
C15H16BFO2
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Chemical Name:
B-(3-Fluoro-4′-propyl[1,1′-biphenyl]-4-yl)boronic acid
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Synonyms:
Boronic acid,B-(3-fluoro-4′-propyl[1,1′-biphenyl]-4-yl)-;Boronic acid,(3-fluoro-4′-propyl[1,1′-biphenyl]-4-yl)-;B-(3-Fluoro-4′-propyl[1,1′-biphenyl]-4-yl)boronic acid;[3-Fluoro-4′-propylbiphenyl-4-yl]boronic acid;[2-Fluoro-4-(4-propylphenyl)phenyl]boronic acid;(3-Fluoro-4′-propyl-[1,1′-biphenyl]-4-yl)boronic acid;(3-Fluoro-4′-propyl-[1,1′-biphenyl]-4-yl)boronicacid
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CAS No:
B-(3-Fluoro-4′-propyl[1,1′-biphenyl]-4-yl)boronic acid Basic Attributes
258.1
258.10
618-687-6
DTXSID90695025
2931900090
Characteristics
40.5
2.12500
1.2±0.1 g/cm3
412.5°C at 760 mmHg
203.3±31.5 °C
1.567
Slightly soluble in water.
Safety Information
P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362
H315
|Warning|H315 (33.33%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P273, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362, P391, and P501|Aggregated GHS information provided by 3 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
B-(3-Fluoro-4′-propyl[1,1′-biphenyl]-4-yl)boronic acid Use and Manufacturing
The compound which are expressed with a formula (I-1-3) 22.2g (0.104 mol) and 150 mL of tetrahydrofuran by the reaction container provided with the dropping funnel were added. 124mL of secbutyl lithium solutions (1.0 mol/(L)) were dropped at 70 degree C. After agitatingthen for 2 hours, 25.3 g (0.135 mol) of boric acid triisopropyl was dropped. After agitatingthen for 2 hours, 300 mL of chloride was dropped at 0 degree C 10percent. The salt solutionwashed, after agitating at a room temperature for 1 hour. The compound 25.7g (0.0995 mol) denoted by a formula (I-1-4) was obtained by making it condense and dry.The reaction vessel equipped with a dropping funnel eq. (I-1-3) compound represented by 22. 2g, tetrahydrofran 150 ml is added. Sec-butyl lithium soln. (1. 0 mol/L) 124 ml to -70 ° C by dripping. 2 time after stirring it, boric acid diisopropylbenzene 25. 3g is dropped. 2 time after stirring it, by dropping a 10percent hydrochloric acid. After stirring at room temperature for 1 hour, washed with saline. Concentrated, eq. (I-1-4) by drying the compounds represented by 25. 7g is obtained.
Computed Properties
Molecular Weight:258.10
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:258.1227381
Monoisotopic Mass:258.1227381
Topological Polar Surface Area:40.5
Heavy Atom Count:19
Complexity:267
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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B-(3-Fluoro-4′-propyl[1,1′-biphenyl]-4-yl)boronic acid
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