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329214-79-1 molecular structure
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3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

ChemBase ID: 32817
Molecular Formular: C11H16BNO2
Molecular Mass: 205.06124
Monoisotopic Mass: 205.12740916
SMILES and InChIs

SMILES:
c1c(cccn1)B1OC(C(O1)(C)C)(C)C
Canonical SMILES:
CC1(C)OB(OC1(C)C)c1cccnc1
InChI:
InChI=1S/C11H16BNO2/c1-10(2)11(3,4)15-12(14-10)9-6-5-7-13-8-9/h5-8H,1-4H3
InChIKey:
XEMDFESAXKSEGI-UHFFFAOYSA-N

Cite this record

CBID:32817 http://www.chembase.cn/molecule-32817.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
IUPAC Traditional name
3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Synonyms
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Pyridine-3-boronic acid, pinacol ester
2-(3-Pyridyl)-4,4,5,5-tetramethyl-1,3-dioxaborolane
4,4,5,5-Tetramethyl-2-(3-pyridinyl)-1,3,2-dioxaborolane
4,4,5,5-Tetramethyl-2-(3-pyridyl)-1,3,2-dioxaborolane
4,4,5,5-Tetramethyl-2-(pyridin-3-yl)-1,3,2-dioxaborolane
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Pyridine-3-boronic acid pinacol ester
3-Pyridineboronic acid pinacol ester
3-Pyridylboronic acid pinacol ester
3-Pyridineboronic acid pinacol ester
吡啶-3-硼酸频哪醇酯
3-(4,4,5,5-四甲基-1,3,2-二氧杂硼烷-2-基)吡啶
3-吡啶基硼酸频哪醇酯
3-吡啶硼酸频哪醇酯
CAS Number
329214-79-1
MDL Number
MFCD03084758
PubChem SID
160996124
24880868
PubChem CID
2734656

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.5797718  LogD (pH = 7.4) 2.588389 
Log P 2.5885  Molar Refractivity 53.5562 cm3
Polarizability 23.101847 Å3 Polar Surface Area 31.35 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
102-104°C expand Show data source
102-104.4 °C(lit.) expand Show data source
77-80°C expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant/Moisture Sensitive/Store under Argon expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-37-60 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
97% expand Show data source
98% expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C11H16BNO2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich - 576565 external link
Packaging
1, 5 g in glass bottle
Toronto Research Chemicals - P991370 external link
3-Pyridineboronic Acid Pinacol Ester is an organoborane compound used in the preparation of of polyazatriaryl ligands by sequential borylation/Suzuki-Miyaura coupling. 3-Pyridineboronic Acid Pinacol Ester is used in the preparation of pyrrolo[2,3-b]pyridi

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Avitia, B. et al.: Tetrahed. Lett., 52, 1631 (2011)
  • • Nishiguchi, G.A. et al.: Bioorg. Med. Chem. Lett., 21, 6366 (2011)
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PATENTS

PATENTS

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INTERNET

INTERNET

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