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Merck
CN

569356

9,9-Dioctylfluorene-2,7-diboronic acid bis(1,3-propanediol) ester

97%

Synonym(s):

9,9-Dioctylfluorene-2,7-bis(trimethylborate)

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About This Item

Linear Formula:
C3H6O2BC6H3C(C8H17)2C6H3BO2C3H6
CAS Number:
317802-08-7
Molecular Weight:
558.41
NACRES:
NA.23
PubChem Substance ID:
24880496
UNSPSC Code:
12352103
MDL number:
MFCD03701607

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InChI

1S/C35H52B2O4/c1-3-5-7-9-11-13-21-35(22-14-12-10-8-6-4-2)33-27-29(36-38-23-15-24-39-36)17-19-31(33)32-20-18-30(28-34(32)35)37-40-25-16-26-41-37/h17-20,27-28H,3-16,21-26H2,1-2H3

SMILES string

CCCCCCCCC1(CCCCCCCC)c2cc(ccc2-c3ccc(cc13)B4OCCCO4)B5OCCCO5

InChI key

KAYXDWIILRESPY-UHFFFAOYSA-N

assay

97%

mp

126-130 °C (lit.)

Quality Level

100

Related Categories

General description

It′s an aryl boronate ester. Arylboronic acids may be prepared by hydrolysis of boronate esters, and consequently many other boronic acid derivatives (e.g., organotrifluoroborates) are derived.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKCM6285
SHBJ9484
SHBF1943V
SHBF4775V
SHBF1279V

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An improved system for the palladium catalyzed borylation of aryl halides with pinacol borane
Billingsley KL, Buchwald SL
The Journal of Organic Chemistry, 73(14), 5589-5591 null
Paladium -catalyzed, direct boronic acide synthesis from aryl chlorides: A simplified route to diverse boronate ester derivatives
Molander GA,Trice SLJ, Dreher SD
Journal of the American Chemical Society, 132(50), 17701-17703 null

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