1-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-pyrazole

Base Information

• Chemical Name: 1-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-pyrazole
• CAS No.: 852227-94-2
• Molecular Formula: C15H19BN2O2
• Molecular Weight: 270.139
• Hs Code.: 2933199090
• European Community (EC) Number: 696-121-7
• DSSTox Substance ID: DTXSID60406882
• Wikidata: Q82212014
• Mol file: 852227-94-2.mol

Synonyms:852227-94-2;1-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-pyrazole;1-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1H-pyrazole;1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazole;(3-(1H-PYRAZOL-1-YL)PHENYL)BORONIC ACID PINACOL ESTER;1-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaboranlan-2-yl)phenyl]-1H-pyrazole;SCHEMBL382745;DTXSID60406882;GVSCNAOZDQCWJJ-UHFFFAOYSA-N;MFCD07368520;AKOS025116760;AB32035;AS-31458;CS-0147284;EN300-1719121;J-504093;3-(1H-Pyrazol-1-yl)benzeneboronic acid, pinacol ester;Z2049762200;1-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-pyrazole;1-[3-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]-1H-pyrazole;1-[3-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-1H-pyrazole

Chemical Property of 1-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-pyrazole

Chemical Property:

• Vapor Pressure: 4.12E-06mmHg at 25°C
• Refractive Index: 1.546
• Boiling Point: 395.7°C at 760 mmHg
• PKA: 0.11±0.19(Predicted)
• Flash Point: 193.1°C
• PSA: 36.28000
• Density: 1.08g/cm³
• LogP: 2.17150
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 270.1539580
• Heavy Atom Count: 20
• Complexity: 346

Purity/Quality:

99%, ^*data from raw suppliers

1-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaboranlan-2-yl)phenyl]-1H-pyrazole 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)N3C=CC=N3

Technology Process of 1-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-pyrazole

There total 1 articles about 1-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-pyrazole which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-pyrazole (852227-94-2)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; potassium acetate; tricyclohexylphosphine; In 1,4-dioxane; for 4h; Reflux;

Reference yield: 61.0%

4-(6-bromopyridin-3-yl)-1-azabicyclo[2.2.1]heptane (1238104-52-3) + 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-pyrazole (852227-94-2) → 4-[6-(3-pyrazol-1-yl-phenyl)-pyridin-3-yl]-1-aza-bicyclo[2.2.1]heptane (1046834-15-4)

Guidance literature:

With trans-bis(triphenylphosphine)palladium dichloride; potassium carbonate; In 1,2-dimethoxyethane; water; at 110 ℃; for 0.166667h; Microwave irradiation;

DOI:10.1021/jo201501f

Reference yield: 48.0%

4-(6-chloro-pyridin-3-yl)-1-aza-bicyclo[2.2.1]heptane (1046834-25-6) + 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-pyrazole (852227-94-2) → 4-[6-(3-pyrazol-1-yl-phenyl)-pyridin-3-yl]-1-aza-bicyclo[2.2.1]heptane (1046834-15-4)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; potassium carbonate; In 1,2-dimethoxyethane; water; Inert atmosphere; Reflux;

DOI:10.1021/ol102170q

Downstream raw materials:

4-[6-(3-pyrazol-1-yl-phenyl)-pyridin-3-yl]-1-aza-bicyclo[2.2.1]heptane

ethyl 1-(2-(3-(1H-pyrazol-1-yl)phenyl)pyrimidin-4-yl)piperidine-4-carboxylate

cyclohexyl-[1-(4-methoxy-benzyl)-3-(3-pyrazol-1-yl-phenyl)-1H-pyrazolo[4,3-c]pyridin-4-yl]-amine

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