1-Isobutyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

Base Information

• Chemical Name: 1-Isobutyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
• CAS No.: 827614-66-4
• Molecular Formula: C13H23 B N2 O2
• Molecular Weight: 250.149
• Hs Code.: 2934999090
• European Community (EC) Number: 675-010-7
• DSSTox Substance ID: DTXSID00374778
• Wikidata: Q82163341
• Mol file: 827614-66-4.mol

Synonyms:827614-66-4;1-Isobutyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;1-Isobutylpyrazole-4-boronic acid pinacol ester;1-(2-methylpropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;1-(2-Methylpropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;1-ISOBUTYLPYRAZOLE-4-BORONIC ACID, PINACOL ESTER;1-(2-methylpropyl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;1-Isobutyl-pyrazole-4-boronic acid pinacol ester;MFCD05663857;(1-ISOBUTYL-1H-PYRAZOL-4-YL)BORONIC ACID PINACOL ESTER;1-Isobutyl-1H-pyrazole-4-boronic acid pinacol ester;1-isobutyl-1h-pyrazole-4-boronic acid, pinacol ester;SCHEMBL1429189;AMY3455;DTXSID00374778;YMEBZRNYQBODKB-UHFFFAOYSA-N;CS-D0399;AKOS005256162;AT11242;PB27691;1H-Pyrazole,1-(2-methylpropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-;AS-42130;1-Isobutylpyrazole-4-boronic acid, pinacolester;EN300-212560;A840433;1-Isobutylpyrazole-4-boronic acid pinacol ester, 95%;F2147-6930;1-iso-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

Chemical Property of 1-Isobutyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

Chemical Property:

• Refractive Index: n20/D 1.4740(lit.)
• Boiling Point: 248-249 °C(lit.)
• Flash Point: 118 °F
• PSA: 36.28000
• Density: 1.003 g/mL at 25 °C(lit.)
• LogP: 1.83830
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 250.1852581
• Heavy Atom Count: 18
• Complexity: 291

Purity/Quality:

97% ^*data from raw suppliers

1-Isobutylpyrazole-4-boronic acid pinacol ester ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 10-36/38
• Safety Statements: 16-26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CC(C)C
• Uses: 1-Isobutylpyrazole-4-boronic acid, pinacol ester 1-Isobutylpyrazole-4-boronic acid pinacol ester can be used:In the synthesis of 7-azaindole derivatives as potent PDK1 inhibitors.As a reactant in the synthesis of imidazo[1,2-a]pyrazine derivatives as potent phosphodiesterase 10A inhibitors.To prepare 2-substituted-3-aroyl-benzo[b]furan derivatives.

Technology Process of 1-Isobutyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

There total 2 articles about 1-Isobutyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-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: 88.0%

pyrazole-4-boronic acid pinacol ester (269410-08-4) + Isobutyl bromide (78-77-3) → 1-(2-methylpropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (827614-66-4,1036757-43-3)

Guidance literature:

With caesium carbonate; In acetonitrile; at 80 ℃; for 4h;

Reference yield: 81.0%

4-bromo-1-isobutyl-1H-pyrazole (1184394-32-8) + bis(pinacol)diborane (73183-34-3) → 1-(2-methylpropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (827614-66-4,1036757-43-3)

Guidance literature:

With palladium (II) [1,1'-bis(diphenylphosphanyl)ferrocene] dichloride; anhydrous potassium acetate; In 1,4-dioxane; at 90 ℃; for 16h; Inert atmosphere;

Reference yield: 46.0%

1-(2-methylpropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (827614-66-4,1036757-43-3) + [4-(5-bromo-thiophen-2-yl)-5-methyl-pyrimidin-2-yl]-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-amine (1138473-16-1) → {4-[5-(1-isobutyl-1H-pyrazol-4-yl)-thiophen-2-yl]-5-methyl-pyrimidin-2-yl}-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-amine (1138473-22-9)

Guidance literature:

With sodium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In water; N,N-dimethyl-formamide; at 160 ℃; for 0.333333h; sealed tube; microwave irradiation;

upstream raw materials:

pyrazole-4-boronic acid pinacol ester

Isobutyl bromide

4-bromo-1-isobutyl-1H-pyrazole

bis(pinacol)diborane

Downstream raw materials:

{4-[5-(1-isobutyl-1H-pyrazol-4-yl)-thiophen-2-yl]-5-methyl-pyrimidin-2-yl}-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-amine

C₃₈H₃₆N₆O₂

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 827614-66-4 1-ISOBUTYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE

Send

Send

Metric Ton KG G Pound L ML

Send

Send