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6-Methoxy-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

HCID 67487482
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Basic information

CAS
1080028-73-4
Standard SMILES
COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C)n1
InChIKey
CWJKZNNXSPVPAY-UHFFFAOYSA-N
Molecular formula
C13H20BNO3
Average molar mass
249.12 g/mol
Monoisotopic mass
249.1536237

Names & identifiers

Preferred name
6-Methoxy-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
IUPAC
6-methoxy-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
English name
6-Methoxy-2-methyl-3-(4,4,5,5-tetramethyl-[1,3,2] dioxaborolan-2-yl)-pyridine
Molecular formula
C13H20BNO3
Molecular weight
249.11

Names & synonyms

1080028-73-46-methoxy-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine6-METHOXY-2-METHYLPYRIDINE-3-BORONIC ACID PINACOL ESTER6-Methoxy-2-methyl-pyridine-3-boronic acid pinacol esterMFCD129233986-Methoxy-2-methyl-3-(4,4,5,5-tetramethyl-[1,3,2]SCHEMBL2661238DTXSID30737372CWJKZNNXSPVPAY-UHFFFAOYSA-NFTB02873AKOS016010757MB12144
Show more names
6-Methoxy-2-methyl-3-(46-Methoxy-2-methylpyridine-3-boronic6-Methoxy-2-methylpyridine-3-boronicacidpinacolester,96%6-Methoxy-2-Methylpyridine-3-boronic acid pinacol ester, 96%b6-Methoxy-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridinePyridine, 6-methoxy-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-Methoxy-2-methyl-3-(4,4,5,5-tetramethyl-[1,3,2] dioxaborolan-2-yl)-pyridine2-methoxy-6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-dihydropyridine
6-methoxy-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-pyridinePS-13064DB-059673CS-0159353F53835EN300-7320098Z20447841802-Methyl-6-methoxypyridine-3-boronic acid pinacol ester, 97%

Database identifiers

CAS
1080028-73-4
PubChem CID
67487482
DTXSID
DTXSID30737372

Properties

Computed structural propertiesFilling in

Topological polar surface area
40.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
18
Formal charge
0
Complexity
293

Physicochemical properties

Boiling point
335.2 · 335.2±42.0 °C(Predicted)
Density
1.05 · 1.05±0.1 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
4.11 · 4.11±0.12(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319-H335
Precautionary statements
261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319-H335
Precautionary statements
P261-P280a-P304+P340-P305+P351+P338-P405-P501a

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Related reactions

3 records
New reaction record
HRID 869916 reaction equation
HRID 869916As reactantuspto-grants-2015_03
HRID 869937 reaction equation
HRID 869937As reactantuspto-grants-2015_03
HRID 869943 reaction equation
HRID 869943As reactantuspto-grants-2015_03

Compound notes

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