2-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)aceticacid , >98% , 797755-07-8

Synonym(s):
2-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenylacetic acid;Phenylacetic acid-4-boronic acid pinacol ester

CAS NO.：797755-07-8

Empirical Formula: C14H19BO4

Molecular Weight: 262.11

MDL number: MFCD04038755

PRODUCT Properties

• Melting point: 165-170°C
• Boiling point: 398.2±25.0 °C(Predicted)
• Density: 1.13±0.1 g/cm3(Predicted)
• storage temp.: under inert gas (nitrogen or Argon) at 2-8°C
• pka: 4.24±0.10(Predicted)
• form: Crystalline Powder or Powder
• color: White to yellow
• 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)
• InChIKey: FNLWHBHWDXCWHV-UHFFFAOYSA-N
• SMILES: CC1(C)OB(OC1(C)C)c2ccc(CC(O)=O)cc2

Description and Uses

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

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319-H335
• Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338
• target organs: Respiratory system
• Hazard Codes: Xi
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37/39
• WGK Germany: 1
• HazardClass: IRRITANT
• HS Code: 2931900090
• Storage Class: 11 - Combustible Solids
• Hazard Classifications: Eye Irrit. 2; Skin Irrit. 2; STOT SE 3