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2161-90-2

2161-90-2 Structure

2161-90-2 Structure
IdentificationBack Directory
[Name]

1-METHOXY-1,3-CYCLOHEXADIENE
[CAS]

2161-90-2
[Synonyms]

2,3-DIHYDROANISOLE
1-METHOXY-1,3-CYCLOHEXADIENE
1-methoxycyclohexa-1,3-diene
1,3-Cyclohexadiene, 1-methoxy-
1,3-Cyclohexadien-1-yl methyl ether
1-METHOXY-1,3-CYCLOHEXADIENE, TECH., 65%
1-Methoxy-1,3-cyclohexadiene,2,3-Dihydroanisole
1-Methoxy-1,3-cyclohexadiene technical grade, 65%
[EINECS(EC#)]

218-483-3
[Molecular Formula]

C7H10O
[MDL Number]

MFCD00001533
[MOL File]

2161-90-2.mol
[Molecular Weight]

110.15
Chemical PropertiesBack Directory
[Melting point ]

96-97 °C
[Boiling point ]

40 °C/15 mmHg (lit.)
[density ]

0.929 g/mL at 25 °C (lit.)
[refractive index ]

n20/D 1.488(lit.)
[Fp ]

80 °F
[LogP]

1.790 (est)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

10-20/21/22
[Safety Statements ]

16-33-36/37/39
[RIDADR ]

UN 1993 3/PG 3
[WGK Germany ]

3
[HazardClass ]

3.2
[PackingGroup ]

III
Hazard InformationBack Directory
[Uses]

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.
[Synthesis Reference(s)]

Tetrahedron Letters, 13, p. 4195, 1972 DOI: 10.1016/S0040-4039(01)94273-X
[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.
Spectrum DetailBack Directory
[Spectrum Detail]

1-METHOXY-1,3-CYCLOHEXADIENE(2161-90-2)1HNMR
1-METHOXY-1,3-CYCLOHEXADIENE(2161-90-2)IR
1-METHOXY-1,3-CYCLOHEXADIENE(2161-90-2)Raman
1-METHOXY-1,3-CYCLOHEXADIENE(2161-90-2)FT-IR
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