1,2,3,9-Tetrahydro-9-methyl-4H-carbazol-4-one

Basic Information

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CAS Number

27387-31-1

Molecular Formula

C13H13NO

Molecular Weight

199.25 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

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

199.0 to 203.0 deg-C

Boiling Point

383.5℃ at 760 mmHg

SMILES

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CN1C2=C(C(=O)CCC2)C3=CC=CC=C31

InChI

InChI=1S/C13H13NO/c1-14-10-6-3-2-5-9(10)13-11(14)7-4-8-12(13)15/h2-3,5-6H,4,7-8H2,1H3

InChIKey

HHJUJCWZKJMCLC-UHFFFAOYSA-N

LogP

2.697300000000001

Topological Polar Surface Area

22.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

276

Synonyms & References

English

SR-01000524011
DTXSID30181811
9-Methyl-2,3,4,9-tetrahydro-1H-carbazol-4-one
MFCD00173748
9-Methyl-1,2,3,4-tetrahydrocarbazol-4-one
AKOS000520398
9-methyl-4-oxo-1,2,3,4-tetrahydrocarbazole
A819041
SCHEMBL1146660
Maybridge1_001957
Z1201619510
UNII-267IW42T7Z
9-Methyl-1,2,3,9-tetrahydro-4H-carbazol-4-one
EN300-244783
FT-0621676
AMY280
SY030905
9-Methyl-1,2,3,9-tetrahydro-4H-carbazol-4-one #
1,2,3,4-Tetrahydro-9-methyl-4-oxocarbazole
AC-1031
NS00028293
J-503775
FS-2935
CS-W002468
9-METHYL-2,3-DIHYDRO-1H-CARBAZOL-4(9H)-ONE
ONDANSETRON HYDROCHLORIDE DIHYDRATE IMPURITY C [EP IMPURITY]
J-003550
1,2,3,9-TETRAHYDRO-4-OXO-CARBAZOLE
DS-0682
9-methyl-1,2,3,4-tetrahydro-4-oxocarbazole
Ondansetron hydrochloride dihydrate specified impurity C [EP]

MDL Number

MFCD00173748

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 1,2,3,9-Tetrahydro-9-methyl-4H-carbazol-4-one (CAS: 27387-31-1)?

1,2,3,9-Tetrahydro-9-methyl-4H-carbazol-4-one (CAS: 27387-31-1) is a crystalline solid with a molecular weight of approximately 212.22 g/mol. It has a solubility of about 0.1 g/100 mL in ethanol and a low solubility in water. This compound is relatively stable but can undergo ring-opening reactions under certain conditions. It is insoluble in water and has a high melting point of around 235-238°C.

How is 1,2,3,9-Tetrahydro-9-methyl-4H-carbazol-4-one (CAS: 27387-31-1) typically synthesized?

1,2,3,9-Tetrahydro-9-methyl-4H-carbazol-4-one is typically synthesized via the reaction of 2,3,4,9-tetrahydro-9-methyl-4H-carbazol with acetyl chloride. The synthesis involves heating the mixture under anhydrous conditions, using an appropriate catalyst such as phosphoric acid, to achieve a yield of about 70-80%. The product is then purified by recrystallization from a suitable solvent.

What industries use 1,2,3,9-Tetrahydro-9-methyl-4H-carbazol-4-one (CAS: 27387-31-1)?

1,2,3,9-Tetrahydro-9-methyl-4H-carbazol-4-one (CAS: 27387-31-1) is utilized in various industries. It is commonly employed in the pharmaceutical sector for the synthesis of certain drugs, in the semiconductor industry for its use in organic light-emitting diodes (OLEDs), and in the polymer industry as a monomer for the production of specific polymers. Additionally, it finds applications in sensor technology due to its unique optical properties.

What precautions should be taken when handling 1,2,3,9-Tetrahydro-9-methyl-4H-carbazol-4-one (CAS: 27387-31-1)?

When handling 1,2,3,9-Tetrahydro-9-methyl-4H-carbazol-4-one (CAS: 27387-31-1), it is essential to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. This compound should be worked with in a well-ventilated fume hood to minimize the risk of inhalation. Spills should be cleaned up immediately using appropriate absorbent materials and disposed of according to local regulations. Always refer to the safety data sheet (SDS) for detailed safety information.