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

Base Information

• Chemical Name: tert-Butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinate
• CAS No.: 1309982-38-4
• Molecular Formula: C16H26BNO5
• Molecular Weight: 323.19234
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID40694487
• Wikidata: Q82623595
• Mol file: 1309982-38-4.mol

Synonyms:1309982-38-4;tert-Butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinate;5-(tert-Butoxycarbonyl)pyridine-3-boronic acid pinacol ester;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxylate;3-Pyridinecarboxylic acid, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester;DTXSID40694487;LJTZQZOLQCVMCV-UHFFFAOYSA-N;MFCD09839169;tert-Butyl5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinate;AKOS015950268;FD10455;PS-12947;CS-0369211;tert-butyl 5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)nicotinate

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

Chemical Property:

• Boiling Point: 402.6±30.0 °C(Predicted)
• PKA: 3.21±0.22(Predicted)
• PSA: 57.65000
• Density: 1.07±0.1 g/cm3(Predicted)
• LogP: 2.33610
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 305.1798384
• Heavy Atom Count: 22
• Complexity: 414

Purity/Quality:

98.5% ^*data from raw suppliers

tert-Butyl5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinate 95+% ^*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)OC(C)(C)C

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

There total 1 articles about tert-Butyl 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:

tert-butyl 5-bromopyridine-3-carboxylate (263270-02-6) + bis(pinacol)diborane (73183-34-3) → C16H24BNO4 (1309982-38-4)

Guidance literature:

With 1,1'-bis-(diphenylphosphino)ferrocene; potassium acetate; palladium diacetate; In 1,4-dioxane; at 100 ℃;

Reference yield:

C16H24BNO4 (1309982-38-4) → [5-(tert-butoxycarbonyl)pyridin-3-yl]boronic acid (1203649-61-9)

Guidance literature:

With sodium periodate; ammonium acetate; In water; acetone; at 20 ℃;

upstream raw materials:

tert-butyl 5-bromopyridine-3-carboxylate

bis(pinacol)diborane

Downstream raw materials:

[5-(tert-butoxycarbonyl)pyridin-3-yl]boronic acid

Refernces