Cyclohexyl-α-MIDA-boryl aldehyde

Inquiry

Molecular Formula:

C13H20BNO5

Molecular Weight:

281.11

CAS Number:

1329422-59-4

Catalog Number:

1329422-59-4

Product Information

Molecular Formula:

C13H20BNO5

Molecular Weight:

281.11

Description

This boronic acid derivative is in a series of the first known stable α-boryl aldehyde species. Through the employment of the MIDA-protected boronic ester, this building block has been shown as a precursor to the synthesis of unnatural amino acids.

Synonyms

Cyclohexyl(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)acetaldehyde,MIDA071

IUPAC Name

2-cyclohexyl-2-(5-methyl-3,7-dioxo-2,8-dioxa-5-azonia-1-boranuidabicyclo[3.3.0]octan-1-yl)acetaldehyde

Canonical SMILES

[B-]12([N+](CC(=O)O1)(CC(=O)O2)C)C(C=O)C3CCCCC3

InChI

InChI=1S/C13H20BNO5/c1-15-7-12(17)19-14(15,20-13(18)8-15)11(9-16)10-5-3-2-4-6-10/h9-11H,2-8H2,1H3

InChI Key

PJUAFQNQEFKGFF-UHFFFAOYSA-N

Flash Point

Not applicable

Purity

98%

Storage

2-8°C

Safety Information

Hazards

H302

Precautionary Statement

P301 + P312 + P330

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

281.1434529 g/mol

Monoisotopic Mass

281.1434529 g/mol

Topological Polar Surface Area

69.7Å²

Heavy Atom Count

Formal Charge

Complexity

440

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

The molarity calculator equation

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

Mass

Concentration

Volume

Molecular Weight *

Calculate

The dilution calculator equation

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

Calculate

Cyclohexyl-α-MIDA-boryl aldehyde

Product Information

Safety Information

Computed Properties

Related Products