[Methoxy(4-phenoxyphenyl)methylene]malononitrile

Basic Information

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CAS Number

330792-69-3

Molecular Formula

C17H12N2O2

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Boiling Point

471.1±45.0°C at 760 mmHg

SMILES

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N#C/C(C#N)=C(/OC)c2ccc(Oc1ccccc1)cc2

InChI

InChI=1S/C17H12N2O2/c1-20-17(14(11-18)12-19)13-7-9-16(10-8-13)21-15-5-3-2-4-6-15/h2-10H,1H3

InChIKey

IRVRZQLHMPWLLY-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

Propanedinitrile, [methoxy(4-phenoxyphenyl)methylene]-
1,1-DICYANO-2-METHOXY-2-(4-PHENOXYPHENYL)ETHENE
2-[(4-phenoxy-phenyl)-methoxy-methylene]-malononitrile
2-[methoxy(4-phenoxyphenyl)methylene]Propanedinitrile
IBL 3
Propanedinitrile, 2-[methoxy(4-phenoxyphenyl)methylene]-
2-(methoxy(4-phenoxyphenyl)methylene)malononitrile
Ibrutinib intermediate
Propanedinitrile, 2-[Methoxy(4-phenoxyphenyl)Methylene]-
2-[methoxy(4-phenoxyphenyl)methylidene]propanedinitrile

MDL Number

MFCD20140315

FAQ

What are the physical and chemical properties of Methoxy(4-phenoxyphenyl)methylene]malononitrile (CAS: 330792-69-3)?

Methoxy(4-phenoxyphenyl)methylene]malononitrile (CAS: 330792-69-3) is a solid at room temperature with a crystalline form. It has a molecular weight of approximately 316.27 g/mol. The compound is slightly soluble in common organic solvents like acetone and ethanol. It shows good reactivity towards nucleophiles and can undergo addition reactions efficiently.

How is Methoxy(4-phenoxyphenyl)methylene]malononitrile (CAS: 330792-69-3) typically synthesized?

Methoxy(4-phenoxyphenyl)methylene]malononitrile is typically synthesized via the Grignard reaction starting from phenylmagnesium bromide and 4-phenoxybenzonitrile. The reaction proceeds with high selectivity and yields up to 90%, making it a reliable method for industrial production.

What industries use Methoxy(4-phenoxyphenyl)methylene]malononitrile (CAS: 330792-69-3)?

Methoxy(4-phenoxyphenyl)methylene]malononitrile is used in the pharmaceutical industry for the synthesis of certain drugs, particularly those involving aromatic heterocycles. It also finds applications in the polymer industry for modifying polymer properties and in the semiconductor industry for specific functional materials.

What precautions should be taken when handling Methoxy(4-phenoxyphenyl)methylene]malononitrile (CAS: 330792-69-3)?

When handling Methoxy(4-phenoxyphenyl)methylene]malononitrile, it is essential to use personal protective equipment (PPE) such as gloves and goggles. Store the compound in a cool, dry place away from strong acids and bases. In case of a spill, use appropriate absorbent materials and dispose of them according to local regulations. Refer to the Safety Data Sheet (SDS) for detailed information.