Ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinate

Base Information

• Chemical Name: Ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinate
• CAS No.: 916326-10-8
• Molecular Formula: C14H20BNO4
• Molecular Weight: 277.128
• Hs Code.: 2934999090
• European Community (EC) Number: 864-036-6
• DSSTox Substance ID: DTXSID20396831
• Nikkaji Number: J2.647.657G
• Wikidata: Q72471442
• Mol file: 916326-10-8.mol

Synonyms:916326-10-8;3-(ETHOXYCARBONYL)PYRIDINE-5-BORONIC ACID PINACOL ESTER;ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinate;5-(Ethoxycarbonyl)pyridine-3-boronic acid pinacol ester;Ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxylate;MFCD04117940;3-Pyridinecarboxylic acid, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester;5-(Ethoxycarbonyl)pyridine-3-boronicacidpinacolester;ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl]pyridine-3-carboxylate;SCHEMBL701931;DTXSID20396831;ZKGQTSJZFBTEOB-UHFFFAOYSA-N;ethyl 5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxylate;AKOS005259565;AB20767;FD10416;ETHYL NICOTINATE-5-PINACOLBORONATE;PS-12943;CS-0022700;EN300-129678;A850019;5-(4,4,5,5-TETERAMETHYL-[1,3,2]DI;J-521064;3-ethoxycarbonylpyridine-5-boronic acid pinacol ester;Z1625061575;NICOTINIC ACID ETHYL ESTER-5-BORONIC ACID PINACOL ESTER;3-(ethoxycarbonyl)pyridine-5-boronic acid pinacol ester, AldrichCPR;ethyl 5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)nicotinate;ethyl?5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinate;ethyl5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinate;5-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-NICOTINIC ACID ETHYL ESTER;5-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-NICOTINIC ACIDETHYL ESTER;5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolane-2-yl)pyridine-3-carboxylic acid ethyl ester;ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxylate

Chemical Property of Ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinate

Chemical Property:

• PSA: 57.65000
• LogP: 1.55750
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 277.1485383
• Heavy Atom Count: 20
• Complexity: 356

Purity/Quality:

97% ^*data from raw suppliers

3-(Ethoxycarbonyl)pyridine-5-boronicacidpinacolester ^*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(=CN=C2)C(=O)OCC

Technology Process of Ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinate

There total 4 articles about Ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinate 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: 62.0%

ethyl 5-bromo-3-pyridinecarboxylate (20986-40-7) + bis(pinacol)diborane (73183-34-3) → ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinate (916326-10-8)

Guidance literature:

With potassium acetate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; tricyclohexylphosphine; In N,N-dimethyl-formamide; at 80 - 85 ℃; Inert atmosphere;

Reference yield:

ethyl 5-bromo-3-pyridinecarboxylate (20986-40-7) + tricyclohexylphosphine tetrafluoroborate + bis(pinacol)diborane (73183-34-3) → ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinate (916326-10-8)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; In 1,4-dioxane;

Reference yield:

3-pyridinecarboxylic acid ethyl ester (614-18-6) + bis(pinacol)diborane (73183-34-3) → ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinate (916326-10-8)

Guidance literature:

With (1,5-cyclooctadiene)(methoxy)iridium(I) dimer; 4,4'-di-tert-butyl-2,2'-bipyridine; In tetrahydrofuran; at 80 ℃; for 18h; regioselective reaction; Inert atmosphere;

DOI:10.1002/chem.201403021

upstream raw materials:

ethyl 5-bromo-3-pyridinecarboxylate

bis(pinacol)diborane

3-pyridinecarboxylic acid ethyl ester

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