{2-(2-Methyl-2-propanyl)-6-[(E)-2-(1,1,7,7-tetramethyl-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-yl)vinyl]-4H-pyran-4-ylidene}malononitrile

Basic Information

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CAS Number

200052-70-6

Molecular Formula

C30H35N3O

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

298-303 °C (exp.)

Boiling Point

561.106 °C at 760 mmHg

Density

1.143 ?

Flash Point

293.147 ℃?

Refractive Index

1.601?

Vapor Pressure

0.0±1.5 mmHg at 25°C

SMILES

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CC1(CCN2CCC(C3=C2C1=CC(=C3)C=CC4=CC(=C(C#N)C#N)C=C(O4)C(C)(C)C)(C)C)C

InChI

InChI=1S/C30H35N3O/c1-28(2,3)26-17-21(22(18-31)19-32)16-23(34-26)9-8-20-14-24-27-25(15-20)30(6,7)11-13-33(27)12-10-29(24,4)5/h8-9,14-17H,10-13H2,1-7H3/b9-8+

InChIKey

HXWWMGJBPGRWRS-CMDGGOBGSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

1010

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

866626-87-1
DCJTB, AldrichCPR
BCP18975
MFCD11044893
200052-70-6
(E)-2-(2-(tert-Butyl)-6-(2-(1,1,7,7-tetramethyl-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-yl)vinyl)-4H-pyran-4-ylidene)malononitrile
AKOS005145812
SCHEMBL37121
2-[2-tert-butyl-6-[(E)-2-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]pyran-4-ylidene]propanedinitrile
BS-49411
DCJTB
DCJTB, 98%
4-(Dicyanomethylene)-2-tert-butyl-6-[1,1,7,7-tetramethyljulolidin-4-yl-vinyl]-4H-pyran
DCJTB(4-(Dicyanomethylene)-2-tert-butyl-6-(1,1,7,7-tetramethyljulolidin-4-yl-vinyl)-4H-pyran)
A847569
4-(Dicyanomethylene)-2-tert-butyl-6-(1,1,7,7-tetramethyljulolidin-4-yl-vinyl)-4H-pyran
Propanedinitrile,[2-(1,1-dimethylethyl)-6-[2-(2,3,6,7-tetrahydro-1,1,7,7-tetramethyl-1H,5H-benzo[ij]quinolizin-9-yl)ethenyl]-4H-pyran-4-ylidene]-
4-(dicyanomethylene)-2-tert-butyl-6-(1,1,7,7-tetramethyljulolidin-4-yl-vinyl)-4h-pyran
4-(Dicyanomethylene)-2-T-Butyl-6-(1,1,7,7-Tetramethyljulolidyl-9-Enyl)-4h-Pyran
4-(DICYANOMETHYLENE)-2-T-BUTYL-6-(1,1,7,7-TETRAMETHYLJULOLIDYL-9-ENYL)-4H-PYRAN (DCJTB)
Propanedinitrile, 2-[2-(1,1-dimethylethyl)-6-[2-(2,3,6,7-tetrahydro-1,1,7,7-tetramethyl-1H,5H-benzo[ij]quinolizin-9-yl)ethenyl]-4H-pyran-4-ylidene]-
DCJTB DCJTB
DCJTB,4-(Dicyanomethylene)-2-tert-butyl-6-(1,1,7,7-tetramethyljulolidin-4-yl-vinyl)-4H-pyran
2-tert-Butyl-4-(dicyanomethylene)-6-[2-(1,1,7,7-tetramethyljulolidin-9-yl)vinyl]-4H-pyran
4-(dicyanomethylene)-2-tert-butyl-6-(1,1,7,7-tetramethyljulolidin-4-ylvinyl)-4H-pyran
4-(dicyanomethylene)-2-tert-butyl-6-(1,1,7,7-tetramethyljulolidyl-9-enyl)-4H-pyran
4-(Dicyanomethylene)-2-tert-butyl-6-(1,1,7,7-tetramethyl-julolidin-4-yl-vinyl)-4H-pyran
DCJBT
C30H35N3O
052D706
4-(Dicyanomethylene)-2-tert-butyl-6-(1,1,7,7-tetramethyljulol

MDL Number

MFCD11044893

FAQ

What are the physical and chemical properties of (2-(2-Methyl-2-propanyl)-6-[(E)-2-(1,1,7,7-tetramethyl-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-yl)vinyl]-4H-pyran-4-ylidene}malononitrile (CAS: 200052-70-6)?

The compound (2-(2-Methyl-2-propanyl)-6-[(E)-2-(1,1,7,7-tetramethyl-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-yl)vinyl]-4H-pyran-4-ylidene}malononitrile) has a crystalline form. Its molecular weight is approximately 644.52 g/mol. It is slightly soluble in common organic solvents and shows moderate reactivity with nucleophiles. The compound is stable under normal conditions but may react with strong acids or bases.

How is (2-(2-Methyl-2-propanyl)-6-[(E)-2-(1,1,7,7-tetramethyl-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-yl)vinyl]-4H-pyran-4-ylidene}malononitrile (CAS: 200052-70-6) typically synthesized?

The compound is typically synthesized by a series of reactions involving coupling of a malononitrile derivative with a pyridine-based compound. The reaction requires suitable catalysts and is performed under anhydrous conditions. The yield of the product is around 70-80%, with high selectivity towards the desired product.

What industries use (2-(2-Methyl-2-propanyl)-6-[(E)-2-(1,1,7,7-tetramethyl-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-yl)vinyl]-4H-pyran-4-ylidene}malononitrile (CAS: 200052-70-70-6)?

This compound is primarily used in pharmaceuticals for its potential medicinal properties, such as anti-inflammatory and anti-oxidant activities. It has also shown interest in the development of new materials in the polymer and semiconductor industries.

What precautions should be taken when handling (2-(2-Methyl-2-propanyl)-6-[(E)-2-(1,1,7,7-tetramethyl-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-yl)vinyl]-4H-pyran-4-ylidene}malononitrile (CAS: 200052-70-6)?

When handling this compound, it is essential to use appropriate personal protective equipment (PPE), including gloves and goggles. Work should be conducted in a well-ventilated area or a fume hood. Spills should be contained and cleaned up using appropriate methods. Safety data sheets (SDS) should always be consulted for detailed handling and disposal information.