trans-1-Propenylboronic acid pinacol ester

Inquiry

Molecular Formula:

C9H17BO2

Molecular Weight:

168.04

CAS Number:

83947-58-4

Catalog Number:

83947-58-4

Product Information

Molecular Formula:

C9H17BO2

Molecular Weight:

168.04

Description

trans-1-Propenylboronic acid pinacol ester is an indispensable compound in the biomedical sector. Its application include pharmaceutical synthesis and organic compound formation. Notably, its employment as a fundamental unit for disease-targeting drug construction, with emphases on combating cancer, diabetes, and inflammation, merits recognition.

Synonyms

trans-1-Propeneboronic acid pinacol ester,trans-2-(1-Propen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

IUPAC Name

4,4,5,5-tetramethyl-2-[(E)-prop-1-enyl]-1,3,2-dioxaborolane

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C=CC

InChI

InChI=1S/C9H17BO2/c1-6-7-10-11-8(2,3)9(4,5)12-10/h6-7H,1-5H3/b7-6+

InChI Key

COPMASWDWLENMV-VOTSOKGWSA-N

Flash Point

127.9 °F

Purity

97%

Density

0.881 g/mL at 25 °C

Refractive Index

n20/D 1.433

Safety Information

Hazards

H226

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

168.1321599 g/mol

Monoisotopic Mass

168.1321599 g/mol

Topological Polar Surface Area

18.5Å²

Heavy Atom Count

Formal Charge

Complexity

181

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
WO-2021146370-A1	Map4k1 inhibitors	2020-01-15
WO-2021032088-A1	Method for preparing l-erythrobiopterin compound	2019-08-19
CN-112390800-A	Preparation method of L-erythro biopterin compound	2019-08-19
CN-112390800-B	Preparation method of L-erythro biopterin compound	2019-08-19
WO-2021007477-A1	Indazoles and azaindazoles as lrrk2 inhibitors	2019-07-11
TW-202116754-A	Indazoles and azaindazoles as lrrk2 inhibitors	2019-07-11
WO-2020059824-A1	Boron-containing conjugated polyene compound, method for producing same, and method for producing conjugated polyene compound	2018-09-19
BR-112020012476-A2	small molecule modulators of the keap1 btb domain	2017-12-22
CN-111491922-A	Small molecule modulators of the BTB domain of Keap1	2017-12-22
US-2021094931-A1	Small molecule modulators of the btb domain of keap1	2017-12-22

The molarity calculator equation

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

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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