3,5-Dimethylisoxazole-4-boronic Acid Pinacol Ester
Product Information
Molecular Formula
C11H18NO3B
Molecular Weight
223.08
Description
3,5-Dimethylisoxazole-4-boronic Acid Pinacol Ester (CAS# 832114-00-8) is a useful research chemical.
Synonyms
3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoxazole; 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole
IUPAC Name
3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(ON=C2C)C
InChI
InChI=1S/C11H18BNO3/c1-7-9(8(2)14-13-7)12-15-10(3,4)11(5,6)16-12/h1-6H3
InChI Key
CVLHETBAROWASE-UHFFFAOYSA-N
Boiling Point
324.7 °C at 760 mmHg
Melting Point
95-99 °C (lit.)
Flash Point
Not applicable
Purity
97 %
Density
1.05 g/cm3
Appearance
White to yellow crystalline powder
LogP
1.59060
Safety Information
Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
223.1379736 g/mol
Monoisotopic Mass
223.1379736 g/mol
Topological Polar Surface Area
44.5Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
266
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 |
|---|---|---|
| CN-113896725-A | Pyrazoloquinoline compound and preparation method and application thereof | 2021-09-22 |
| CN-113402515-A | Indole compound and preparation method and application thereof | 2021-05-12 |
| WO-2022028598-A1 | Atr inhibitors and uses thereof | 2020-08-07 |
| WO-2022002245-A1 | Atr inhibitors and uses thereof | 2020-07-03 |
| WO-2021263278-A1 | Rev-erb agonists for the treatment of th17-mediated inflammatory disorders | 2020-06-23 |
| CN-113816944-A | Anti-filovirus compounds and uses thereof | 2020-06-20 |
| WO-2021250194-A1 | Small molecule modulators of il-17 | 2020-06-12 |
| WO-2021249417-A1 | Heterocyclic compound and derivative thereof | 2020-06-09 |
| WO-2021233397-A1 | Piperazine cyclic ureas | 2020-05-20 |
| WO-2021216898-A1 | Compounds and methods for cd73 modulation and indications therefor | 2020-04-23 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 1084 | 1975-12-16 | The purification and characterization of the low molecular weight human folate binding protein using affinity chromatography | Biochemistry |
