4-((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)methyl)pyridine

Base Information

• Chemical Name: 4-((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)methyl)pyridine
• CAS No.: 864754-20-1
• Molecular Formula: C15H20 B N3 O2
• Molecular Weight: 285.154
• Hs Code.: 2934999090
• European Community (EC) Number: 802-048-5
• DSSTox Substance ID: DTXSID90590086
• Wikidata: Q82483754
• Mol file: 864754-20-1.mol

Synonyms:864754-20-1;4-((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)methyl)pyridine;4-[4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PYRAZOL-1-YLMETHYL]-PYRIDINE;1-(4-Pyridinomethyl)pyrazole-4-boronic acid pinacol ester;4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]pyridine;MFCD08706028;1-(4-Pyridinmethyl)pyrazole-4-boronic acid pinacol ester;1-(4-pyridylmethyl)-1h-pyrazole-4-boronic acid pinacol ester;4-{[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]methyl}pyridine;4-{[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRAZOL-1-YL]METHYL}PYRIDINE;SCHEMBL1356322;DTXSID90590086;CYVKIEBMWMQHOR-UHFFFAOYSA-N;1-(Pyridin-4-ylmethyl)-1H-pyrazole-4-boronic acid, pinacol ester;AKOS015842293;SB14660;AS-48244;CS-0175701;F20606;A863170;A1-10207;J-514240;1-(Pyridin-4-ylmethyl)-1H-pyrazole-4-boronic acid pinacol ester;1-(Pyridin-4-ylmethyl)-1H-pyrazole-4-boronic acid pinacol ester, AldrichCPR;4-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]methyl}pyridine

Chemical Property of 4-((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)methyl)pyridine

Chemical Property:

• Vapor Pressure: 6.26E-08mmHg at 25°C
• Refractive Index: 1.559
• Boiling Point: 451.9°C at 760 mmHg
• PKA: 5.42±0.10(Predicted)
• Flash Point: 227.1°C
• PSA: 49.17000
• Density: 1.12g/cm³
• LogP: 1.62560
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 285.1648571
• Heavy Atom Count: 21
• Complexity: 356

Purity/Quality:

97% ^*data from raw suppliers

1-(Pyridin-4-ylmethyl)-1H-pyrazole-4-boronic acid pinacol ester Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CC3=CC=NC=C3

Technology Process of 4-((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)methyl)pyridine

There total 4 articles about 4-((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)methyl)pyridine 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: 90.0%

4-(Chloromethyl)pyridine (10445-91-7) + pyrazole-4-boronic acid pinacol ester (269410-08-4) → 4 ((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)methyl)pyridine (864754-20-1)

Guidance literature:

With caesium carbonate; In acetonitrile; at 20 - 60 ℃;

Reference yield: 6.0%

pyrazole-4-boronic acid pinacol ester (269410-08-4) + 4-(bromomethyl)pyridine monohydrochloride (843673-58-5) → 4 ((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)methyl)pyridine (864754-20-1)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 80 ℃; for 8h;

Reference yield:

pyrazole-4-boronic acid pinacol ester (269410-08-4) + 4-picolylchloride hydrochloride (1822-51-1) → 4 ((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)methyl)pyridine (864754-20-1)

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; at 160 ℃; for 0.5h; Microwave irradiation;

DOI:10.1021/jm500073h

upstream raw materials:

4-(Chloromethyl)pyridine

pyrazole-4-boronic acid pinacol ester

4-picolylchloride hydrochloride

4-(bromomethyl)pyridine monohydrochloride