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Supelco

1,4-Dioxane solution

NMR reference standard, 5 mM in benzene-d6 (99.6 atom % D), NMR tube size 3 mm × 8 in.

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About This Item

Empirical Formula (Hill Notation):
C4H8O2
CAS Number:
123-91-1
Molecular Weight:
88.11
MDL number:
MFCD00006571
UNSPSC Code:
12142201
PubChem Substance ID:
24882453
NACRES:
NA.24

grade

NMR reference standard
analytical standard

Quality Level

200

concentration

5 mM in benzene-d6 (99.6 atom % D)

technique(s)

NMR: suitable

NMR tube size

3 mm × 8 in.

format

single component solution

SMILES string

C1COCCO1

InChI

1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2

InChI key

RYHBNJHYFVUHQT-UHFFFAOYSA-N

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Quantity

3 mm O.D. tube contains 0.235 mL.
Each pack contains 10 tubes.

signalword

Danger

Hazard Classifications

Aquatic Chronic 3 - Asp. Tox. 1 - Carc. 1A - Eye Irrit. 2 - Flam. Liq. 2 - Muta. 1B - Skin Irrit. 2 - STOT RE 1

target_organs

Blood

wgk_germany

WGK 3

flash_point_f

12.2 °F

flash_point_c

-11 °C

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Reaction conditions for the CC cross-coupling of O(6)-alkyl-2-bromo- and 2-chloroinosine derivatives with aryl-, hetaryl-, and alkylboronic acids were studied. Optimization experiments with silyl-protected 2-bromo-O(6)-methylinosine led to the identification of [PdCl(2)(dcpf)]/K(3)PO(4) in 1,4-dioxane as the best conditions for these reactions (dcpf=1,1'-bis(dicyclohexylphosphino)ferrocene).
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