1-cyclohepten-1yl boronic acid pinacol ester

Inquiry

Molecular Formula:

C13H23BO2

Molecular Weight:

222.13

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

Canonical 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

Safety Information

Hazards

H315 - H319 - H335

Precautionary Statement

P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

222.1791101 g/mol

Monoisotopic Mass

222.1791101 g/mol

Topological Polar Surface Area

18.5Å²

Heavy Atom Count

Formal Charge

Complexity

278

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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

The molarity calculator equation

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

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The dilution calculator equation

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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