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352534-81-7

352534-81-7 Structure

352534-81-7 Structure
IdentificationBack Directory
[Name]

3-BUTOXYBENZENEBORONIC ACID
[CAS]

352534-81-7
[Synonyms]

AKOS BRN-0942
3-ButoxyphenyL
(3-butoxyphenyl)boronicaci
3-BUTOXYPHENYLBORONIC ACID
3-BUTOXYBENZENEBORONIC ACID
B-(3-Butoxyphenyl)boronic acid
Boronic acid, (3-butoxyphenyl)- (9CI)
3-Butoxyphenylboronic Acid (contains varying amounts of Anhydride)
[Molecular Formula]

C10H15BO3
[MDL Number]

MFCD03427053
[MOL File]

352534-81-7.mol
[Molecular Weight]

194.04
Chemical PropertiesBack Directory
[Melting point ]

89-93 °C(lit.)
[Boiling point ]

351.3±44.0 °C(Predicted)
[density ]

1.08±0.1 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

soluble in Methanol
[form ]

powder to crystal
[pka]

8.13±0.10(Predicted)
[color ]

White to Almost white
[InChI]

1S/C10H15BO3/c1-2-3-7-14-10-6-4-5-9(8-10)11(12)13/h4-6,8,12-13H,2-3,7H2,1H3
[InChIKey]

ZTRKYYYDXARQRD-UHFFFAOYSA-N
[SMILES]

CCCCOc1cccc(c1)B(O)O
Questions And AnswerBack Directory
[Uses]

3-Butoxyphenylboronic acid is a pharmaceutical intermediate that can be used in the Suzuki coupling reaction. Literature reports its use in the preparation of 3-(2-fluoro-phenoxy)-5-(3-n-butoxyphenyl)-benzylcyanide, a compound with beta-secretase inhibitory function.
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P280-P305+P351+P338
[WGK Germany ]

3
[HS Code ]

2931900090
[Storage Class]

13 - Non Combustible Solids
Spectrum DetailBack Directory
[Spectrum Detail]

3-BUTOXYBENZENEBORONIC ACID(352534-81-7)1HNMR
3-BUTOXYBENZENEBORONIC ACID(352534-81-7)IR
Hazard InformationBack Directory
[General Description]

Contains varying amounts of anhydride.
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