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Merck
CN

662992

Sigma-Aldrich

trans-1-Hepten-1-ylboronic acid pinacol ester

97%

Synonym(s):

E-2-(1-Heptenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, trans-1-Heptenylboronic acid pinacol ester

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About This Item

Empirical Formula (Hill Notation):
C13H25BO2
CAS Number:
169339-75-7
Molecular Weight:
224.15
MDL number:
MFCD05663884
UNSPSC Code:
12352103
PubChem Substance ID:
24884176

Key Documents

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Assay

97%

refractive index

n20/D 1.445

bp

73-77 °C/0.4-0.5 mmHg

density

0.875 g/mL at 25 °C

SMILES string

CCCCC\C=C\B1OC(C)(C)C(C)(C)O1

InChI

1S/C13H25BO2/c1-6-7-8-9-10-11-14-15-12(2,3)13(4,5)16-14/h10-11H,6-9H2,1-5H3/b11-10+

InChI key

XHEDFAYNMNXKGM-ZHACJKMWSA-N

Application

Substrate used in a palladium-catalyzed cross-coupling with olefins providing substituted 1,3-dienes.

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

222.8 °F - closed cup

Flash Point(C)

106 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
06916LD

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Kyung Soo Yoo et al.
Journal of the American Chemical Society, 128(50), 16384-16393 (2006-12-15)
We report herein the development of a general and mild protocol of oxygen-promoted Pd(II) catalysis resulting in the selective cross-couplings of alkenyl- and arylboron compounds with various olefins. Unlike most cross-coupling reactions, this new methodology works well even in the

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