2-(Cyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Product Information
Molecular Formula
C12H21BO2
Molecular Weight
208.11
Description
2-(Cyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS# 141091-37-4 ) is a useful research chemical.
Synonyms
Cyclohexene-1-boronic acid pinacol ester; 1-Cyclohexen-1-yl-boronic acid pinacol ester; 2-cyclohexenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 1-Cyclohexeneboronic Acid Pinacol Ester; 2-(1-cyclohexenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC Name
2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCCCC2
InChI
InChI=1S/C12H21BO2/c1-11(2)12(3,4)15-13(14-11)10-8-6-5-7-9-10/h8H,5-7,9H2,1-4H3
InChI Key
QNZFUMVTUFOLRT-UHFFFAOYSA-N
Boiling Point
232.0±33.0 °C (Predicted)
Flash Point
219.0 °F
Purity
≥ 95 %
Density
0.968 g/cm3
Appearance
Clear colorless to tan liquid
Storage
2-8 °C
Safety Information
Precautionary Statement
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
208.1634601 g/mol
Monoisotopic Mass
208.1634601 g/mol
Topological Polar Surface Area
18.5Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
265
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-2022048684-A1 | Jnk inhibitor, pharmaceutical composition thereof and use thereof | 2020-09-07 |
| WO-2022039563-A1 | Novel compounds having inhibitory activity on prostaglandin e2 receptor and uses thereof | 2020-08-21 |
| 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 |
| WO-2022015957-A1 | Compounds and compositions for treating conditions associated with sting activity | 2020-07-15 |
| WO-2021263278-A1 | Rev-erb agonists for the treatment of th17-mediated inflammatory disorders | 2020-06-23 |
| WO-2021226135-A1 | Heterocyclic compounds as triggering receptor expressed on myeloid cells 2 agonists and methods of use | 2020-05-04 |
| WO-2021133915-A1 | Ectonucleotide pyrophosphatase/phosphodiesterase 1 (enpp1) modulators and uses thereof | 2019-12-23 |
| TW-202128699-A | Therapeutic compounds | 2019-11-27 |
| WO-2021094763-A1 | Erap1 modulators | 2019-11-14 |
| WO-2021083380-A1 | Eed inhibitor, and preparation method therefor and use thereof | 2019-11-01 |
