1-Cyclohepten-1yl boronic acid pinacol ester
Product Information
Molecular Formula
C13H23BO2
Molecular Weight
222.13
Description
1-Cyclohepten-1yl Boronic Acid Pinacol Ester, manifesting pharmaceutical exclusivity, functions primarily in the intricate pharmaceutical formulation of anti-neoplastic drugs. In the field of tumor drugs, it is regarded as a key chemical intermediate.
Synonyms
2-(Cyclohept-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 1-CYCLOHEPTENYLBORONIC ACID PINACOL ESTER; 2-(cyclohepten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 1-Cycloheptene-1-boronic Acid Pinacol Ester; 1-cyclohepten-1yl boronic acid pinacol ester; 2-(1-Cycloheptenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 1,3,2-Dioxaborolane, 2-(1-cyclohepten-1-yl)-4,4,5,5-tetramethyl-
IUPAC Name
2-(cyclohepten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCCCCC2
InChI
InChI=1S/C13H23BO2/c1-12(2)13(3,4)16-14(15-12)11-9-7-5-6-8-10-11/h9H,5-8,10H2,1-4H3
InChI Key
XCKJXFSLFZYWSB-UHFFFAOYSA-N
Flash Point
Not applicable
Purity
95%
Safety Information
Hazards
H315 - H319 - H335
Precautionary Statement
P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
222.1791101 g/mol
Monoisotopic Mass
222.1791101 g/mol
Topological Polar Surface Area
18.5Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
278
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 |
|---|---|---|
| US-2020148663-A1 | Substituted isoindolinones | 2018-11-13 |
| TW-202031641-A | Substituted isoindolinones | 2018-11-13 |
| US-10844039-B2 | Substituted isoindolinones | 2018-11-13 |
| US-2020325114-A1 | Substituted isoindolinones | 2018-11-13 |
| CN-113423701-A | Substituted isoindolinones | 2018-11-13 |
| IL-283057-D0 | Converted isoindolinones | 2018-11-13 |
| JP-2022507267-A | Substituted isoindolinone | 2018-11-13 |
| US-2019374542-A1 | Kras g12c inhibitors and methods of using the same | 2018-06-12 |
| CN-111132977-A | Quinoline derivatives for the treatment of helminth infections | 2017-08-04 |
| KR-20200036909-A | Quinoline derivatives for treating infections caused by worms | 2017-08-04 |
