2-Methylindole-3-carboxaldehyde
Synonym(s):3-Formyl-2-methylindole;NSC 11895
- CAS NO.：5416-80-8
- Empirical Formula: C10H9NO
- Molecular Weight: 159.18
- MDL number: MFCD00012077
- EINECS: 226-512-6
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-06-08 17:06:37
What is 2-Methylindole-3-carboxaldehyde?
Chemical properties
Brown powder
The Uses of 2-Methylindole-3-carboxaldehyde
Reactant for preparation of:• ;Tryptophan dioxygenase inhibitors pyridyl-ethenyl-indoles as potential anticancer immunomodulators1• ;Fluorescent sensors (BODIPY)2• ;Antimicrobial agents against methicillin-resistant Staphylococcus aureus3• ;G protein-coupled receptor CRTh2 antagonists4• ;Inhibitors of PI3 kinase-α5• ;Antitubercular agents6• ;Anti-inflammatory agents7• ;Mycobacterium tuberculosis protein tyrosine phosphatase B8• ;Glucocorticoid receptor ligands9• ;Agents stimulating neurite outgrowth10
The Uses of 2-Methylindole-3-carboxaldehyde
Reactant for preparation of:
- Tryptophan dioxygenase inhibitors pyridyl-ethenyl-indoles as potential anticancer immunomodulators
- Fluorescent sensors (BODIPY)
- Antimicrobial agents against methicillin-resistant Staphylococcus aureus
- G protein-coupled receptor CRTh2 antagonists
- Inhibitors of PI3 kinase-α
- Antitubercular agents
- Anti-inflammatory agents
- Mycobacterium tuberculosis protein tyrosine phosphatase B
- Glucocorticoid receptor ligands
- Agents stimulating neurite outgrowth
Synthesis Reference(s)
Chemical and Pharmaceutical Bulletin, 31, p. 2892, 1983 DOI: 10.1248/cpb.31.2892
General Description
Oxidative activation of 2-methylindole-3-carboxaldehyde via N-heterocyclic carbene organocatalysis generates heterocyclic ortho-quinodimethane as a key intermediate.
Properties of 2-Methylindole-3-carboxaldehyde
| Melting point: | 200-201 °C (lit.) |
| Boiling point: | 344.3±22.0 °C(Predicted) |
| Density | 1.226±0.06 g/cm3(Predicted) |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| solubility | soluble in Methanol |
| form | Powder |
| pka | 16.08±0.30(Predicted) |
| color | Brown |
| CAS DataBase Reference | 5416-80-8(CAS DataBase Reference) |
| EPA Substance Registry System | 1H-Indole-3-carboxaldehyde, 2-methyl- (5416-80-8) |
Safety information for 2-Methylindole-3-carboxaldehyde
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 2-Methylindole-3-carboxaldehyde
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