718831

4-(Carboxymethyl)phenylboronic acid pinacol ester

95%

• Synonym(s): 2-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenylacetic acid, Phenylacetic acid-4-boronic acid pinacol ester
• Empirical Formula (Hill Notation): C₁₄H₁₉BO₄
• CAS Number: 797755-07-8
• Molecular Weight: 262.11
• MDL number: MFCD04038755
• UNSPSC Code: 12352103
• PubChem Substance ID: 329763612
• NACRES: NA.22

Properties

• Assay: 95%
• form: solid
• mp: 165-170 °C
• functional group: carboxylic acid
• SMILES string: CC1(C)OB(OC1(C)C)c2ccc(CC(O)=O)cc2
• InChI: 1S/C14H19BO4/c1-13(2)14(3,4)19-15(18-13)11-7-5-10(6-8-11)9-12(16)17/h5-8H,9H2,1-4H3,(H,16,17)
• InChI key: FNLWHBHWDXCWHV-UHFFFAOYSA-N

Description

Application

4-(Carboxymethyl)phenylboronic acid pinacol ester can be used:

• As an intermediate to prepare hydantoin-derived autotaxin inhibitors.
• As a substrate in the synthesis of reactive oxygen species (ROS)-sensitive and H₂O₂-eliminating materials by interlinking phenylboronic acid pinacol esters onto β-cyclodextrin.
• To prepare 5-aryl-2-aminopyridine derived FLT3 kinase inhibitors.

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H315,H319,H335
• Precautionary Statements: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 1
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable