CAS 286961-14-6|(N-叔丁氧羰基)-1,2,3,6-四氢吡啶-4-硼酸频哪醇酯|(N-tert-Butoxycarbonyl-1,2,5,6-tetrahydropyridin-4-yl)boronic acid pinacol ester|N-Boc-1,2,3,6-tetrahydropyridine-4-boronic acid pinaco...

General Information

Structure

Molecular Formula

C₁₆H₂₈BNO₄

Molecular Mass

309.20882

Exact Mass

309.21113878

Charge

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

InChIKey

VVDCRJGWILREQH-UHFFFAOYSA-N

Canonic Smiles

O=C(N1CCC(=CC1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C

Isomeric Smiles

C1(=CCN(CC1)C(=O)OC(C)(C)C)B1OC(C(O1)(C)C)(C)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.6289

LogD (pH = 7.4)

2.6289

Log P

2.6289

Molar Refractivity

82.3596

Polarizability

33.774742

Polar Surface Area

48.0

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

(N-叔丁氧羰基)-1,2,3,6-四氢吡啶-4-硼酸频哪醇酯(1-tert-Butoxycarbonyl-1,2,3,6-tetrahydropyridin-4-yl)boronic acid pinacol esterN-Boc-1,2,3,6-tetrahydropyridine-4-boronic acid pinacol ester(N-tert-Butoxycarbonyl-1,2,5,6-tetrahydropyridin-4-yl)boronic acid pinacol ester(N-tert-Butoxycarbonyl)-1,2,3,6-tetrahydropyridine-4-boronic acid pinacol esterN-Boc-1,2,3,6-四氢吡啶-4-硼酸频哪醇酯(N-tert-Butoxycarbonyl-1,2,3,6-tetrahydropyridin-4-yl)boronic acid pinacol estertert-Butyl 3,6-dihydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-1(2H)-carboxylateN-(tert-butoxycarbonyl)-3,6-dihydro-2H-pyridine-4-boronic acid pinacol estertert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine-1-carboxylate1,2,3,6-Tetrahydropyridine-4-boronic acid, pinacol ester, N-BOC protectedtert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydropyridine-1(2H)-carboxylateN-Boc-1,2,5,6-tetrahydropyridine-4-boronic acid pinacol estertert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborol-an-2-yl)-5,6-dihydropyridine-1(2H)-carboxylatetert-butyl 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine-1-carboxylate[1-Boc-1,2,3,6-tetrahydropyridine-4-yl]boronic acid pinacol ester

IUPAC name

tert-butyl 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine-1-carboxylate

IUPAC Traditional name

tert-butyl 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem SID

PubChem CID

Registration numbers

Properties

Safety Information

Physical Property

115-117°C

100-114 °C

3.606

Properties

Related Proteins

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Molecular Spectra

No Data Available

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Molecule Details

Sigma Aldrich

706531

Packaging
1 g in glass bottle
250 mg in glass bottle
Application
Reagent used for
• Suzuki-Miyaura cross-coupling using palladium phosphine catalyst1
• Palladium-catalyzed ligand-controlled regioselective Suzuki coupling2
• Palladium-catalyzed Suzuki-Miyaura coupling3
• Suzuki coupling followed by iodolactonization reaction4
• Wrenchnolol derivative optimized for gene activation in cells5 Reagent used in Preparation of several enzymatic inhibitors and receptor ligands
• Orally active anaplastic lymphoma kinase inhibitors6
• Oxazolecarboxamides as diacylglycerol acyltransferase-1 inhibitors for treatment of obesity and diabetes7
• 4-arylpiperidinyl amides and N-arylpiperidin-3-yl-cyclopropanecarboxamides as novel melatonin receptor ligands8
• Quinazoline analogs as glucocerebrosidase inhibitors with chaperone activity for treatment of Gaucher disease, a lysosomal storage disorder9
• Arylpiperazine and piperidine ethers as dual acting norepinephrine reuptake inhibitors and 5-HT1A partial agonists10

Molecule Details

References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

Synonyms

IUPAC name

tert-butyl 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine-1-carboxylate

IUPAC Traditional name

tert-butyl 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate

Registration numbers

CAS Number

MDL Number

PubChem SID

PubChem CID

Molecule Details

706531

References

PubChem Literature

No Data Available

Click here to submit data

Bioactivity

PubChem BioAssay

Properties

Safety Information

Physical Property

115-117°C

100-114 °C

3.606

Molecule

ID:29867