2,3-Dimethyl-1H-indole

Basic Information

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CAS Number

91-55-4

Molecular Formula

C10H11N

Molecular Weight

145.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

104.0 to 108.0 deg-C

Boiling Point

285°C

Density

1.0641 (estimate)

Flash Point

285°C/750mm

Refractive Index

1.6030 (estimate)

SMILES

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CC1=C(NC2=CC=CC=C12)C

InChI

InChI=1S/C10H11N/c1-7-8(2)11-10-6-4-3-5-9(7)10/h3-6,11H,1-2H3

InChIKey

PYFVEIDRTLBMHG-UHFFFAOYSA-N

LogP

2.784740000000001

Topological Polar Surface Area

15.79 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

144

Safety Information

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Hazard Statement

Synonyms & References

English

UNII-TFW7O9HWZK
DTXSID6059027
2,3-Dimethylindole
NSC 24936
2,3-dimethyl indole
2,3-Dimethyl-1H-indole #
AC-11743
STL377851
2,3-dimethyl-1h-indol
InChI=1/C10H11N/c1-7-8(2)11-10-6-4-3-5-9(7)10/h3-6,11H,1-2H
AMY23189
Z56867202
91-55-4
FT-0641910
AS-56969
NCGC00331571-01
AKOS000445202
HMS1648J03
1H-Indole, 2,3-dimethyl-
SCHEMBL154593
LS-82921
CS-W010999
INDOLE, 2,3-DIMETHYL-
NSC-24936
DIMETHYLINDOLE, 2,3-
2,3-Dimethyl-1H-indole
AB00444231-03
D-5350
2,3-Dimethylindole, >=97%
Q27289944
F12404

MDL Number

MFCD00005617

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 2,3-Dimethyl-1H-indole (CAS: 91-55-4)?

2,3-Dimethyl-1H-indole (CAS: 91-55-4) is a crystalline solid with a molecular weight of approximately 129.18 g/mol. It is sparingly soluble in water but soluble in organic solvents like ethanol, acetone, and dichloromethane. Chemically, it is moderately reactive towards electrophiles and nucleophiles. It is stable under normal conditions but may undergo thermal degradation at high temperatures.

How is 2,3-Dimethyl-1H-indole (CAS: 91-55-4) typically synthesized?

2,3-Dimethyl-1H-indole (CAS: 91-55-4) is commonly synthesized via the indole synthesis route, starting from aniline and methyl acetoacetate. The reaction typically uses a catalyst like palladium acetate and a base like triethylamine. High yields can be achieved with good regioselectivity.

What industries use 2,3-Dimethyl-1H-indole (CAS: 91-55-4)?

2,3-Dimethyl-1H-indole (CAS: 91-55-4) is used in various industries. It is a key intermediate in the synthesis of pharmaceuticals, including antipsychotics and antidepressants. It is also used in the production of fragrances and as a precursor in the development of polymers and sensors. Its electronic properties make it suitable for semiconductor applications.

What precautions should be taken when handling 2,3-Dimethyl-1H-indole (CAS: 91-55-4)?

When handling 2,3-Dimethyl-1H-indole (CAS: 91-55-4), it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coats. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risk. Spills should be handled with care, and the Safety Data Sheet (SDS) should be consulted for specific spill response procedures. Storage should be in a cool, dry place away from direct sunlight.