4-(Carboxymethyl)phenylboronic acid pinacol ester

Base Information

• Chemical Name: 4-(Carboxymethyl)phenylboronic acid pinacol ester
• CAS No.: 797755-07-8
• Molecular Formula: C₁₄H₁₉BO₄
• Molecular Weight: 262.113
• Hs Code.: 2931900090
• European Community (EC) Number: 687-003-6
• DSSTox Substance ID: DTXSID70395470
• Wikidata: Q82195587
• Mol file: 797755-07-8.mol

Synonyms:797755-07-8;4-(Carboxymethyl)phenylboronic acid pinacol ester;2-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetic acid;Phenylacetic acid-4-boronic acid pinacol ester;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic Acid;4-(Dihydroxyborane)phenylacetic acid pinacol ester;MFCD04038755;BENZENEACETIC ACID, 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-;[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid;(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetic acid;SCHEMBL182576;DTXSID70395470;FNLWHBHWDXCWHV-UHFFFAOYSA-N;XGB75507;AKOS004911596;AB17191;AM90128;CS-W000969;DS-17407;SY077413;BB 0261672;FT-0676997;T3754;F11404;4-(Carboxymethyl)phenylboronic acidpinacol ester;EN300-7367999;A849008;4-(Carboxymethyl)phenylboronic acid pinacol ester, 95%;2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenylacetic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaboro-lan-2-yl)phenylacetic acid

Chemical Property of 4-(Carboxymethyl)phenylboronic acid pinacol ester

Chemical Property:

• Vapor Pressure: 4.7E-07mmHg at 25°C
• Melting Point: 165-170°C
• Refractive Index: 1.518
• Boiling Point: 398.2 °C at 760 mmHg
• PKA: 4.24±0.10(Predicted)
• Flash Point: 194.6 °C
• PSA: 55.76000
• Density: 1.13 g/cm³
• LogP: 1.61290
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 262.1376392
• Heavy Atom Count: 19
• Complexity: 329

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-(Carboxymethyl)phenylboronic acid pinacol ester ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CC(=O)O
• Uses: 4-(Carboxymethyl)phenylboronic acid pinacol ester 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.