CAS 61676-62-8|2-isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane|4,4,5,5-tetramethyl-2-(propan-2-yloxy)-1,3,2-dioxaborolane|2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxa-borolane|2-Isopropoxy-4,4,...

General Information

Structure

Molecular Formula

C₉H₁₉BO₃

Molecular Mass

186.05636

Exact Mass

186.14272487

Charge

InChI

InChI=1S/C9H19BO3/c1-7(2)11-10-12-8(3,4)9(5,6)13-10/h7H,1-6H3

InChIKey

MRWWWZLJWNIEEJ-UHFFFAOYSA-N

Canonic Smiles

CC(OB1OC(C(O1)(C)C)(C)C)C

Isomeric Smiles

O(B1OC(C(O1)(C)C)(C)C)C(C)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.2355

LogD (pH = 7.4)

3.2355

Log P

3.2355

Molar Refractivity

46.4531

Polarizability

20.639704

Polar Surface Area

27.69

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

2-isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

IUPAC name

4,4,5,5-tetramethyl-2-(propan-2-yloxy)-1,3,2-dioxaborolane

Synonyms

2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxa-borolane2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane[(Prop-2-yl)oxy]boronic acid, pinacol esterIsopropoxyboronic acid, pinacol ester2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane2-异丙氧基-4,4,5,5-四甲基-1,3,2-二氧杂硼烷4,4,5,5-tetramethyl-2-(propan-2-yloxy)-1,3,2-dioxaborolane2-异丙氧基-4,4,5,5-四甲基-1,3,2-二杂氧戊硼烷Isopropyl pinacolyl borate2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem SID

PubChem CID

Beilstein Number

Registration numbers

Properties

Product Information

97%

98%

95%

C9H19BO3

Safety Information

false

否

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IRRITANT, MOISTURE SENSITIVE, FLAMMABLE

Flammable/Irritant/Moisture Sensitive/Store under Argon

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Sigma Aldrich

417149

Application
Reagent for fluorenylborolane preparation.1
Reagent used to borylate arenes.
Packaging
5, 25, 100, 500 mL in glass bottle

Molecule Details

References

PubChem Literature

From Data Sources

• Selective reagent for preparation of pinacol boronic esters, e.g. for preparation of allenyl or vinyl pinacol boronates from the Grignard or lithium reagents: Liebigs Ann. Chem., 881 (1987); Chem. Ber., 122, 1777 (1989); Tetrahedron Lett., 33, 6941 (1992).

References

Bioactivity

PubChem BioAssay

Bioactivity