ChemicalBook--->CAS DataBase List--->180516-87-4

180516-87-4

180516-87-4 Structure

180516-87-4 Structure
IdentificationMore
[Name]

4-Carboxylphenylboronic acid pinacol ester
[CAS]

180516-87-4
[Synonyms]

[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABORINAN-2-YL) BENZOIC ACID]
4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOIC ACID
4-CARBOXYBENZENEBORONIC ACID PINACOL CYCLIC ESTER
4-CARBOXYPHENYLBORONIC ACID PINACOLATE
4-CARBOXYPHENYLBORONIC ACID, PINACOL CYCLIC ESTER
4-CARBOXYPHENYLBORONIC ACID, PINACOL ESTER
4-CARBOXYPHENYLBORONIC ACID PINACOL ESRER
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoicacid,min.97%
4-carboxylphenylboronic acid pinacol ester
4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOIC ACID, MIN. 97%
4-Carboxybenzeneboronic acid pinacol ester, 97%
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid ,97%
[Molecular Formula]

C13H19BO5
[MDL Number]

MFCD01863710
[Molecular Weight]

266.1
[MOL File]

180516-87-4.mol
Chemical PropertiesBack Directory
[Appearance]

white crystalline powder
[Melting point ]

228-231 °C(lit.)
[Boiling point ]

379.7±25.0 °C(Predicted)
[density ]

1.15±0.1 g/cm3(Predicted)
[storage temp. ]

Refrigerator (+4°C)
[form ]

Crystalline Powder
[pka]

4.09±0.10(Predicted)
[color ]

White
[Water Solubility ]

Insoluble
[Detection Methods]

HPLC
[InChIKey]

IYDKBQIEOBXLTP-UHFFFAOYSA-N
[CAS DataBase Reference]

180516-87-4(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

29163990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

n-Butyllithium-->Triisopropyl borate-->Pinacol-->4-Bromobenzoic acid-->4-Iodobenzeneboronic acid pinacol ester, 97%-->2-(4-BROMO-PHENYL)-4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLANE-->4-Iodobenzoic acid-->4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)CHLOROBENZENE-->4-Formylphenylboronic acid pinacol cyclic ester-->Carbon dioxide-->Hydrochloric acid-->4-Carboxyphenylboronic acid-->4-Aminobenzoic acid
[Preparation Products]

4-AMINOCARBONYLPHENYLBORONIC ACID, PINACOL ESTER
Hazard InformationBack Directory
[Chemical Properties]

white crystalline powder
[Uses]

4-Carboxybenzeneboronic acid pinacol ester is used to improvement of transition metal-mediated carbon-carbon as well as carbon-heteroatom cross-coupling reactions as a labeling feature with the focus on the preparation of radio labeled compounds for molecular imaging.
Spectrum DetailBack Directory
[Spectrum Detail]

4-Carboxylphenylboronic acid pinacol ester(180516-87-4)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid, 97%(180516-87-4)
[Alfa Aesar]

4-Carboxybenzeneboronic acid pinacol ester, 97%(180516-87-4)
[Sigma Aldrich]

180516-87-4(sigmaaldrich)
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