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477982

2,2-Dimethyl-2H-1-benzopyran-6-carbonitrile

Name: 2,2-Dimethyl-2<I>H</I>-1-benzopyran-6-carbonitrile
Brand: ALDRICH

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

NACRES:

NA.22

PubChem Substance ID:

24871435

UNSPSC Code:

12352100

MDL number:

MFCD00084978

Assay:

97%

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Properties

Quality Segment

200

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

Description

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

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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