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639192

Sigma-Aldrich

(3,3-Dimethyl-1-butynyl)boronic acid diisopropyl ester

97%

Synonym(s):

(2-tert-Butyl-1-ethynyl)diisopropoxyborane

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About This Item

Empirical Formula (Hill Notation):
C12H23BO2
CAS Number:
121021-24-7
Molecular Weight:
210.12
MDL number:
MFCD06411312
UNSPSC Code:
12352103
PubChem Substance ID:
24883011

Assay

97%

refractive index

n20/D 1.4160 (lit.)

bp

193-194 °C (lit.)

density

0.891 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

CC(C)OB(OC(C)C)C#CC(C)(C)C

InChI

1S/C12H23BO2/c1-10(2)14-13(15-11(3)4)9-8-12(5,6)7/h10-11H,1-7H3

InChI key

FLHZJMZNIOCRSX-UHFFFAOYSA-N

Application

Substrate that participates in a Dotz annulation process leading to a substituted arylboronate capable of further synthetic elaboration as for example, a Suzuki-Miyarura biaryl cross-coupling.

Pictograms

Flame
GHS02

Signal Word

Warning

Hazard Statements

H226

Hazard Classifications

Flam. Liq. 3

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

109.9 °F - closed cup

Flash Point(C)

43.3 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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M W Davies et al.
The Journal of organic chemistry, 66(10), 3525-3532 (2001-05-12)
This paper describes the synthesis and reactivity of a novel class of quinone boronic esters. These compounds are prepared utilizing a highly regioselective Dötz annulation of Fischer carbene complexes with alkynylboronates. All substrates studied to date provided a single regioisomeric

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