477982
2,2-Dimethyl-2H-1-benzopyran-6-carbonitrile
97%
Synonym(s):
6-Cyano-2,2-dimethylchromene
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About This Item
Empirical Formula (Hill Notation):
C12H11NO
CAS Number:
Molecular Weight:
185.22
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Assay
97%
mp
45-49 °C (lit.)
functional group
nitrile
SMILES string
CC1(C)Oc2ccc(cc2C=C1)C#N
InChI
1S/C12H11NO/c1-12(2)6-5-10-7-9(8-13)3-4-11(10)14-12/h3-7H,1-2H3
InChI key
YDEQIYMIVRCVAH-UHFFFAOYSA-N
General description
2,2-Dimethyl-2H-1-benzopyran-6-carbonitrile (6-Cyano-2,2-dimethyl-2H-1-benzopyran) is a substituted 2,2-dimethyl-2H-1-benzopyran. It can be synthesized by the condensation reaction between 1,1-diethoxy-3-methyl-2-butene and 4-cyanophenol in the presence of pyridine.
Application
2,2-Dimethyl-2H-1-benzopyran-6-carbonitrile (6-Cyano-2,2-dimethylchromene) may be used in the synthesis of 3,4-epoxy-6-cyano-2,2-dimethylchromene via epoxidation.
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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Olefin epoxidation by a (salen) Mn (III) catalyst covalently grafted on glass beads.
Sfrazzetto GT, et al.
Catalysis Science & Technology, 5(2), 673-679 (2015)
Synthesis of 6-cyano-2, 2-dimethyl-2H-1-benzopyran and other substituted 2, 2-dimethyl-2H-1-benzopyrans.
North JT, et al.
The Journal of Organic Chemistry, 60(11), 3397-3400 (1995)
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