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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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PDSCL

Deleterious substance

JAN Code

477982-1G:4548173222035
477982-BULK:
477982-VAR:

Certificates of Analysis (COA)

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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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