(5-methoxy-1H-indol-2-yl)-phenylmethanone

Basic Information

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CAS Number

74588-78-6

Molecular Formula

C16H13NO2

Molecular Weight

251.29 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 Ethers

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

167-169 ºC

Boiling Point

455.2°C at 760 mmHg

Density

1.231±0.06 g/cm3 (20 ºC 760 Torr),

SMILES

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COC1=CC2=C(C=C1)NC(=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H13NO2/c1-19-13-7-8-14-12(9-13)10-15(17-14)16(18)11-5-3-2-4-6-11/h2-10,17H,1H3

InChIKey

ICMIJSRDISNKOC-UHFFFAOYSA-N

LogP

3.4075000000000015

Topological Polar Surface Area

42.09 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

325

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

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

D-64131(SC-203908)
HMS3676P03
HY-15482
CHEBI:92475
HMS3268K07
D-64131
AKOS022507157
(5-Methoxy-1H-indol-2-yl)(phenyl)methanone
SR-01000597597
(5-Methoxy-1H-indol-2-yl)-phenyl-methanone
ZCA58878
5-methoxy-2-benzoylindole
SR-01000597597-1
BRD-K26997899-001-01-4
2-Benzoyl-5-methoxyindole
BDBM50107658
NCGC00025243-01
FT-0700358
D3L
D6413
(5-METHOXY-1H-INDOL-2-YL)PHENYLMETHANONE
AC-36795
A865857
D64131
Tocris-1643
NCGC00025243-02
DTXSID30397970
AS-55906
CHEMBL140220
(5-methoxy-1H-indol-2-yl)-phenylmethanone
SCHEMBL5828518

MDL Number

MFCD04039791

FAQ

What are the physical and chemical properties of (5-methoxy-1H-indol-2-yl)-phenylmethanone (CAS: 74588-78-6)?

(5-methoxy-1H-indol-2-yl)-phenylmethanone (CAS: 74588-78-6) has a white crystalline form with a molecular weight of approximately 260.26 g/mol. It is slightly soluble in water but soluble in organic solvents like ethanol and acetone. Chemically, it is stable under normal conditions but reacts with strong acids and bases. It is a key intermediate in the synthesis of various indole derivatives used in pharmaceuticals and agrochemicals.

How is (5-methoxy-1H-indol-2-yl)-phenylmethanone (CAS: 74588-78-6) typically synthesized?

(5-methoxy-1H-indol-2-yl)-phenylmethanone (CAS: 74588-78-6) is typically synthesized by the condensation of 5-methoxyindole and benzyl chloromethyl ketone. The reaction is usually carried out in the presence of a base like triethylamine, and the product can be isolated by recrystallization. Selectivity and yield are controlled by reaction conditions and solvent choice.

What industries use (5-methoxy-1H-indol-2-yl)-phenylmethanone (CAS: 74588-78-6)?

(5-methoxy-1H-indol-2-yl)-phenylmethanone (CAS: 74588-78-6) is used in the pharmaceutical industry for the synthesis of novel drug candidates. It is also relevant in the agrochemical sector due to its potential as an intermediate in the development of herbicides and pesticides. It may also find application in the production of semiconductors and sensors.

What precautions should be taken when handling (5-methoxy-1H-indol-2-yl)-phenylmethanone (CAS: 74588-78-6)?

When handling (5-methoxy-1H-indol-2-yl)-phenylmethanone (CAS: 74588-78-6), it is essential to use proper personal protective equipment (PPE) such as gloves and safety goggles. Store the compound in a fume hood due to its potential volatility. In case of a spill, use appropriate absorbents and dispose of them according to local regulations. Refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.