9-Methyl-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11-one

Basic Information

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CAS Number

41267-76-9

Molecular Formula

C16H17NO2

Molecular Weight

255.32 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

149.0 to 153.0 deg-C

Boiling Point

398.54°C (rough estimate)

Flash Point

194.9ºC

Refractive Index

1.5500 (estimate)

SMILES

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CC1=CC(=O)OC2=C1C=C3CCCN4C3=C2CCC4

InChI

InChI=1S/C16H17NO2/c1-10-8-14(18)19-16-12-5-3-7-17-6-2-4-11(15(12)17)9-13(10)16/h8-9H,2-7H2,1H3

InChIKey

XHXMPURWMSJENN-UHFFFAOYSA-N

LogP

2.8002200000000013

Topological Polar Surface Area

33.45 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

431

Synonyms & References

English

C2267
1H,5H,11H-(1)Benzopyrano(6,7,8-ij)quinolizin-11-one, 2,3,6,7-tetrahydro-9-methyl-
CCRIS 4960
NS00030953
Coumarin102
Oprea1_258576
CHEBI:51774
2,3,6,7-Tetrahydro-9-methyl-1H,5H,11H-(1)benzopyrano(6,7,8-ij)quinolizin-11-one
EINECS 255-285-6
2,3,6,7-Tetrahydro-9-methyl-1H,5H-quinolizino(9,1-gh)coumarin
NSC290431
DTXSID9068293
C 102
FT-0701397
2,3,5,6-1H,4H-Tetrahydro-8-methylquinolazino-(9,9a,1-gh)coumarin
AKOS002345301
quinolin-11(5H)-one
Q27122741
8-Methyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-aza-benzo(de)anthracen-10-one
BRN 1220752
9-Methyl-2,3,6,7-tetrahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11(5H)-one
coumarin-102
K-102
Coumarine 102
Exciton 480
41267-76-9
SCHEMBL394375
Coumarin 102, Dye content 99 %
NSC-290431
HY-W268197
1ST164474

MDL Number

MFCD00041844

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 9-Methyl-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11-one (CAS: 41267-76-9)?

9-Methyl-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11-one (CAS: 41267-76-9) is a crystalline compound with a molecular weight of approximately 378.41 g/mol. It has a pKa of around 6.5 and is slightly soluble in water but more soluble in organic solvents. It is reactive towards nucleophiles and electrophiles. The compound is stable under normal conditions but should be stored in a cool, dry place away from direct sunlight.

How is 9-Methyl-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11-one (CAS: 41267-76-9) typically synthesized?

9-Methyl-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11-one (CAS: 41267-76-9) can be synthesized via a multi-step reaction involving the condensation of a 1,3-diketone with an amidine, followed by cyclization and further derivatization. The reaction typically requires a Lewis acid catalyst and proceeds with high selectivity and good yield.

What industries use 9-Methyl-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11-one (CAS: 41267-76-9)?

9-Methyl-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11-one (CAS: 41267-76-9) is primarily used in the pharmaceutical industry for the development of novel drugs. It is also used in the synthesis of various chemical intermediates and potential use in organic light-emitting diodes (OLEDs) for display technology.

What precautions should be taken when handling 9-Methyl-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11-one (CAS: 41267-76-9)?

When handling 9-Methyl-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11-one (CAS: 41267-76-9), it is important to wear gloves, safety goggles, and a lab coat. The compound should be stored in a cool, dry place and handled in a fume hood to minimize exposure. In case of spill, immediately clean up using appropriate personal protective equipment and refer to the Safety Data Sheet (SDS) for further instructions.