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HomeProduct name listN-Boc-1,2,5,6-tetrahydropyridine-4-boronic acid pinacol ester

N-Boc-1,2,5,6-tetrahydropyridine-4-boronic acid pinacol ester

Synonym(s):(N-tert-Butoxycarbonyl)-1,2,3,6-tetrahydropyridine-4-boronic acid pinacol ester;(N-tert-Butoxycarbonyl-1,2,3,6-tetrahydropyridin-4-yl)boronic acid pinacol ester;(N-tert-Butoxycarbonyl-1,2,5,6-tetrahydropyridin-4-yl)boronic acid pinacol ester;(1-tert-Butoxycarbonyl-1,2,3,6-tetrahydropyridin-4-yl)boronic acid pinacol ester

  • CAS NO.:286961-14-6
  • Empirical Formula: C16H28BNO4
  • Molecular Weight: 309.21
  • MDL number: MFCD03840345
  • EINECS: 689-148-0
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-05-24 18:18:52
N-Boc-1,2,5,6-tetrahydropyridine-4-boronic acid pinacol ester Structural

What is N-Boc-1,2,5,6-tetrahydropyridine-4-boronic acid pinacol ester?

Chemical properties

off-white powder

The Uses of N-Boc-1,2,5,6-tetrahydropyridine-4-boronic acid pinacol ester

N-Boc-1,2,5,6-tetrahydropyridine-4-boronic acid pinacol ester is an intermediate for organic synthesis and pharmaceutical research and development, and can be used for suzuki reaction.

The Uses of N-Boc-1,2,5,6-tetrahydropyridine-4-boronic acid pinacol ester

Reagent used for suzuki-Miyaura cross-coupling using palladium phosphine catalyst, palladium-catalyzed ligand-controlled regioselective Suzuki coupling, wrenchnolol derivative optimized for gene activation in cells. Also used in Preparation of several enzymatic inhibitors and receptor ligands, orally active anaplastic lymphoma kinase inhibitors and oxazolecarboxamides as diacylglycerol acyltransferase-1 inhibitors for treatment of obesity and diabetes.

Properties of N-Boc-1,2,5,6-tetrahydropyridine-4-boronic acid pinacol ester

Melting point: 114.0 to 118.0 °C
Boiling point: 348.0±52.0 °C(Predicted)
Density  1.05±0.1 g/cm3(Predicted)
storage temp.  Keep in dark place,Sealed in dry,Room Temperature
solubility  Chloroform (Sparingly), Dichloromethane (Sparingly), DMSO (Slightly)
pka -1.21±0.40(Predicted)
form  Solid
color  white to off-white
Water Solubility  Soluble in most organic solvents. Insoluble in water.
InChI InChI=1S/C16H28BNO4/c1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17/h8H,9-11H2,1-7H3

Safety information for N-Boc-1,2,5,6-tetrahydropyridine-4-boronic acid pinacol ester

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405:Store locked up.

Computed Descriptors for N-Boc-1,2,5,6-tetrahydropyridine-4-boronic acid pinacol ester

InChIKey VVDCRJGWILREQH-UHFFFAOYSA-N
SMILES C1N(C(OC(C)(C)C)=O)CC=C(B2OC(C)(C)C(C)(C)O2)C1

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