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

Base Information

• Chemical Name: 1-Propyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
• CAS No.: 827614-69-7
• Molecular Formula: C12H21BN2O2
• Molecular Weight: 236.122
• Hs Code.: 2934999090
• European Community (EC) Number: 632-901-5
• DSSTox Substance ID: DTXSID80375182
• Nikkaji Number: J2.138.997H
• Wikidata: Q72502998
• Mol file: 827614-69-7.mol

Synonyms:827614-69-7;1-Propyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;1-Propyl-1H-pyrazole-4-boronic acid pinacol ester;1-propyl-1h-pyrazole-4-boronic acid, pinacol ester;1-propyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;1-PROPYLPYRAZOLE-4-BORONIC ACID PINACOL ESTER;1H-PYRAZOLE, 1-PROPYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-;1-propyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazole;1-propyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;SCHEMBL1331340;DTXSID80375182;(1-PROPYL-1H-PYRAZOL-4-YL)BORONIC ACID PINACOL ESTER;MFCD05663871;AKOS004911273;AB21989;AM90132;CS-W003232;DS-1649;FT-0649386;P2277;EN300-212566;1-propyl-1h-pyrazole-4-boronic acid,pinacol ester;A840435;J-505106;1-Propyl-1H-pyrazole-4-boronic acid pinacol ester, 97%;F2147-6897;Z1336745111;1H-Pyrazole,1-propyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-;2-(1-Propyl-1H-pyrazole-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(1-Propyl-4-pyrazolyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

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

Chemical Property:

• Vapor Pressure: 0.000198mmHg at 25°C
• Refractive Index: 1.502
• Boiling Point: 338 °C at 760 mmHg
• PKA: 2.11±0.10(Predicted)
• Flash Point: 158.2 °C
• PSA: 36.28000
• Density: 1.03 g/cm³
• LogP: 1.59230
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 236.1696081
• Heavy Atom Count: 17
• Complexity: 268

Purity/Quality:

97% ^*data from raw suppliers

1-Propyl-1H-pyrazole-4-boronic acid, pinacol ester ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-10
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CCC

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

There total 3 articles about 1-Propyl-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: 85.0%

2,3-dimethyl-2,3-butane diol (76-09-5) + (1-propyl-1H-pyrazol-4-yl)boronic acid (847818-57-9) → 1-propyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (827614-69-7)

Guidance literature:

With 4 A molecular sieve; In tetrahydrofuran; at 20 ℃; for 2h;

DOI:10.1002/jhet.5570410612

Reference yield:

pyrazole-4-boronic acid pinacol ester (269410-08-4) + 1-iodo-propane (107-08-4) → 1-propyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (827614-69-7)

Guidance literature:

With caesium carbonate; In acetone; Reflux;

DOI:10.1016/j.ejmech.2018.08.097

Reference yield:

4-bromo-1-propyl-1H-pyrazole (141302-33-2) → 1-propyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (827614-69-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: n-butyllithium / tetrahydrofuran; hexane / 1 h / -90 °C

1.2: trimethylborate / tetrahydrofuran; hexane / 0.5 h / -70 °C

1.3: 51 percent / aq. ammonium chloride / tetrahydrofuran; hexane / 1 h / 20 °C

2.1: 85 percent / molecular sieves 4 Angstroem / tetrahydrofuran / 2 h / 20 °C

With n-butyllithium; 4 A molecular sieve; In tetrahydrofuran; hexane;

DOI:10.1002/jhet.5570410612

upstream raw materials:

2,3-dimethyl-2,3-butane diol

(1-propyl-1H-pyrazol-4-yl)boronic acid

4-bromo-1-propyl-1H-pyrazole

pyrazole-4-boronic acid pinacol ester

Downstream raw materials:

tert-butyl 3-(3-(1-propyl-1H-pyrazol-4-yl)phenethoxy)propanoate

C₃₈H₃₅F₃N₄O₄

C₃₁H₂₉F₃N₄O₄

C₃₁H₃₂F₃N₇O

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 827614-69-7 1-Propyl-1H-pyrazole-4-boronic acid pinacol ester

Send

Send

Metric Ton KG G Pound L ML

Send

Send