Get FREE SHIPPING when you spend $99 or more | ATOMFAIR

Awaiting product image

Atomfair 1-(Ethoxycarbonylmethyl)-1H-pyrazole-4-boronic acid pinacol ester C13H21BN2O4 CAS 864754-16-5

1-(Ethoxycarbonylmethyl)-1H-pyrazole-4-boronic acid pinacol ester (CAS No. 864754-16-5) is a high-purity boronic ester derivative widely used in Suzuki-Miyaura cross-coupling reactions and other transition-metal-catalyzed processes. This compound, with the molecular formula C13H21BN2O4, serves as a versatile building block in medicinal chemistry, agrochemical research, and materials science. Its IUPAC name, ethyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetate , reflects its pinacol-protected boronate functionality and ethoxycarbonylmethyl substitution, enhancing stability and reactivity. Supplied as a crystalline solid, it is rigorously tested via1H/13C NMR, HPLC, and mass spectrometry to ensure ≥95% purity. Store under inert conditions (2-8°C) to maintain optimal shelf life.

Category:

Description

1-(Ethoxycarbonylmethyl)-1H-pyrazole-4-boronic acid pinacol ester (CAS No. 864754-16-5) is a high-purity boronic ester derivative widely used in Suzuki-Miyaura cross-coupling reactions and other transition-metal-catalyzed processes. This compound, with the molecular formula C13H21BN2O4, serves as a versatile building block in medicinal chemistry, agrochemical research, and materials science. Its IUPAC name, ethyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetate, reflects its pinacol-protected boronate functionality and ethoxycarbonylmethyl substitution, enhancing stability and reactivity. Supplied as a crystalline solid, it is rigorously tested via 1H/13C NMR, HPLC, and mass spectrometry to ensure ≥95% purity. Store under inert conditions (2-8°C) to maintain optimal shelf life.

Properties

  • CAS Number: 864754-16-5
  • Complexity: 359
  • IUPAC Name: ethyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetate
  • InChI: InChI=1S/C13H21BN2O4/c1-6-18-11(17)9-16-8-10(7-15-16)14-19-12(2,3)13(4,5)20-14/h7-8H,6,9H2,1-5H3
  • InChI Key: YUEZJHOSHBTWPV-UHFFFAOYSA-N
  • Exact Mass: 280.1594373
  • Molecular Formula: C13H21BN2O4
  • Molecular Weight: 280.13
  • SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CC(=O)OCC
  • Topological: 62.6
  • Monoisotopic Mass: 280.1594373
  • Synonyms: 1-(Ethoxycarbonylmethyl)-1H-pyrazole-4-boronic acid pinacol ester, 625-905-3, 864754-16-5, ethyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)acetate, 1-(ETHOXYCARBONYLMETHYL)-1H-PYRAZOLE-4-BORONIC ACID, PINACOL ESTER, MFCD08706026, 1-(Ethoxycarbonylmethyl)pyrazole-4-boronic Acid Pinacol Ester, ETHYL 2-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRAZOL-1-YL]ACETATE, ethyl [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazol-1-yl]acetate, ethyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]acetate, [4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyrazol-1-yl]-acetic acid ethyl ester, ethyl 2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazol-1-yl]acetate, SCHEMBL938503, DTXSID80584919, YUEZJHOSHBTWPV-UHFFFAOYSA-N, BCP11776, BBL102751, STL556557, (1-(2-ETHOXY-2-OXOETHYL)-1H-PYRAZOL-4-YL)BORONIC ACID PINACOL ESTER, AKOS015960182, CS-W012278, GS-5862, SB12209, SY025112, F2147-7242, 1-(Ethoxycarbonylmethyl)-1H-pyrazole-4-boronic acid pinacol ester, 97%, [4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyrazol-1-yl]acetic acid ethyl ester, [4-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)pyrazol-1-yl]-acetic acid ethyl ester, 1H-Pyrazole-1-acetic acid, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-Pyrazole-1-acetic acid ethyl ester, ethyl[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]acetate, ethyl2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)acetate

Application

This boronic ester is a key intermediate in the synthesis of pharmaceuticals, particularly for modifying pyrazole-based scaffolds in kinase inhibitors. It enables efficient C-C bond formation in Suzuki couplings for biaryl and heteroaryl compound generation. Researchers also utilize it in PROTAC development and boron neutron capture therapy (BNCT) agent design due to its stable boronate group.

Safety and Hazards

GHS Hazard Statements

  • H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
  • H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
  • H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

  • P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

  • Skin Irrit. 2 (100%)
  • Eye Irrit. 2 (100%)
  • STOT SE 3 (100%)

If you are interested or have any questions, please contact us at support@atomfair.com

Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.

Disclaimer

Intended Use & Restrictions

This product is sold exclusively for laboratory research, analytical testing, or non-commercial purposes.

  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

Patent & Regulatory Compliance

Certain molecules may be protected by active patents or regulatory restrictions.

  • Buyers must independently verify patent status (e.g., via USPTO/EPO/CNIPA) and comply with local laws.
  • Atomfair LLC does not provide legal assurances regarding patent non-infringement or jurisdictional compliance.

Liability Release

By purchasing, the buyer agrees to:

  • Use this product only as permitted by law.
  • Indemnify Atomfair LLC against all claims arising from misuse, patent infringement, or regulatory violations.

Reviews

There are no reviews yet.

Only logged in customers who have purchased this product may leave a review.

Related products