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217166

1-Methoxy-1,3-cyclohexadiene

technical grade, 65%

Synonym(s):

2,3-Dihydroanisole

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About This Item

Empirical Formula (Hill Notation):
C7H10O
CAS Number:
2161-90-2
Molecular Weight:
110.15
NACRES:
NA.22
PubChem Substance ID:
24852997
UNSPSC Code:
12352100
EC Number:
218-483-3
MDL number:
MFCD00001533
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grade

technical grade

concentration

65%

refractive index

n20/D 1.488 (lit.)

bp

40 °C/15 mmHg (lit.)

density

0.929 g/mL at 25 °C (lit.)

SMILES string

COC1=CC=CCC1

InChI

1S/C7H10O/c1-8-7-5-3-2-4-6-7/h2-3,5H,4,6H2,1H3

InChI key

LNRUJSUKKBJFOM-UHFFFAOYSA-N

General description

1-Methoxy-1,3-cyclohexadiene is a useful Diels-Alder diene employed in Diels-Alder cycloadditions. It undergoes Diels-Alder reaction with alkyne to yield anisole derivative.

Application

1-Methoxy-1,3-cyclohexadiene was used in the following studies:
  • Synthesis of tetracyclic polyhydroxyquinones via Diels-Alder reaction.
  • Synthesis of tetra-ortho-substituted biaryls via Diels-Alder reaction.
  • Synthesis of optically active form of dihydroisocoumarin fragment of the gastroprotective natural product AI-77-B, via regiospecific Diels-Alder reaction with an acetylenic ester derivative.

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

80.6 °F - closed cup

flash_point_c

27 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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