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477982

Sigma-Aldrich

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:
33143-29-2
Molecular Weight:
185.22
MDL number:
MFCD00084978
UNSPSC Code:
12352100
PubChem Substance ID:
24871435
NACRES:
NA.22

Assay

97%

mp

45-49 °C (lit.)

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

Related Categories

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

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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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