2,6-DIMETHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENOL

Product Information

Molecular Formula:
C14H21BO3
Molecular Weight:
248.13
Description
2,6-DIMETHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENOL, an intermediate with pharmaceutical applications, frequently finds utility in the realm of drug compositions.
Synonyms
4-HYDROXY-3,5-DIMETHYL-4-PHENYLBORONIC ACID, PINACOL ESTER; 4-HYDROXY-3,5-DIMETHYLPHENYLBORONIC ACID, PINACOL CYCLIC ESTER; 4-HYDROXY-3,5-DIMETHYLPHENYLBORONIC ACID, PINACOL ESTER; 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2,6-XYLENOL; 3,5-DIMETHYL-4-H
IUPAC Name
2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C(=C2)C)O)C
InChI
InChI=1S/C14H21BO3/c1-9-7-11(8-10(2)12(9)16)15-17-13(3,4)14(5,6)18-15/h7-8,16H,1-6H3
InChI Key
TYCKOBOJYNRIBO-UHFFFAOYSA-N
Boiling Point
367.3°C at 760 mmHg
Melting Point
100-105°C(lit.)
Flash Point
Not applicable
Purity
95%
Density
1.06g/cm3
Appearance
white to beige crystalline powder
Storage
Refrigerator (+4°C)

Computed Properties

Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
248.1583747 g/mol
Monoisotopic Mass
248.1583747 g/mol
Topological Polar Surface Area
38.7Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
288
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
WO-2022026892-A1 Piperidin-1- yl-n-pyrydi ne-3-yl-2-oxoacet am ide derivatives useful for the treatment of mtap-deficient and/or mt a-accumulating cancers 2020-07-31
JP-2020070288-A (Meth) acrylate compound 2018-10-29
WO-2020090598-A1 (meth)acrylate compound 2018-10-29
CN-112470045-A Optical filter and display device 2018-07-23
TW-202012547-A Compound and its manufacturing method 2018-07-23
TW-202012548-A Optical filter and display device 2018-07-23
CN-111542515-A TOLL-like receptor 8(TLR8) specific antagonist and preparation method and application thereof 2017-10-30
US-2021179621-A1 Toll-Like Receptor 8 (TLR8) Specific Antagonists and Methods of Making and Uses Thereof 2017-10-30
EP-3523292-A1 Heteroaryl compounds and their use as mer inhibitors 2016-10-10
US-2019315716-A1 Heteroaryl compounds and their use as mer inhibitors 2016-10-10
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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