3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

HCID 2734656
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Basic information

CAS
329214-79-1
Standard SMILES
CC1(C)OB(c2cccnc2)OC1(C)C
InChIKey
XEMDFESAXKSEGI-UHFFFAOYSA-N
Molecular formula
C11H16BNO2
Average molar mass
205.06 g/mol
Monoisotopic mass
205.12740915

Names & identifiers

Preferred name
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
IUPAC
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
English name
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Molecular formula
C11H16BNO2
Molecular weight
205.06

Names & synonyms

329214-79-13-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridineDTXSID90370426RefChem:274277DTXCID20321461627-672-33-Pyridineboronic acid pinacol esterPyridine-3-boronic acid pinacol ester3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine3-Pyridylboronic acid pinacol esterMFCD030847583-Pyridineboronicacidpinacolester
Show more names
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridinAKOS BRN-11423-PyridineboronicPyridine-3-boronic acid p...3-Pyridineboronic Acid PinacoL3-Pyridine borate pinacol ester,Pinacolesterpyridinyl-3-boronicacid3-pyrdineboronic acid pinacol ester
pyridine-3-boronic acid, pinacol ester3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-pyridineAKOS004114765CS-W0009123-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)pyridinePYRIDIN-3-YLBORONIC ACID PINACOL ESTER3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridinePyridine, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

Database identifiers

CAS
329214-79-1
PubChem CID
2734656
DTXSID
DTXSID90370426
EC Number
627-672-3
Nikkaji
J1.208.990B

Properties

Computed structural properties

Topological polar surface area
31.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
15

Physicochemical properties

Melting point
102 · 102-104.4 °C(lit.)
Boiling point
300.9 · 300.9±15.0 °C(Predicted)
Density
1.03 · 1.03±0.1 g/cm3(Predicted)
storage temp.
Inert atmosphere,Room Temperature
solubility
soluble in Acetone
pka
5.22 · 5.22±0.12(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
hs_code
29333990
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications · 2 items

Uses3-Pyridineboronic Acid Pinacol Ester is an organoborane compound used in the preparation of polyazatriaryl ligands by sequential borylation/Suzuki-Miyaura coupling. 3-Pyridineboronic Acid Pinacol Ester is used in the preparation of pyrrolo[2,3-b]pyridine derivatives as kinase modulators.

Uses3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is an organoborane compound used in the preparation of of polyazatriaryl ligands by sequential borylation/Suzuki-Miyaura coupling. 3-Pyridineboronic Acid Pinacol E ster is used in the preparation of pyrrolo[2,3-b]pyridine derivatives as kinase modulators.

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

Related reactions

83 records
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Compound notes

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