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
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 |
