2-Acetyl-1-methylpyrrole
- CAS NO.：932-16-1
- Empirical Formula: C7H9NO
- Molecular Weight: 123.15
- MDL number: MFCD00003089
- EINECS: 213-247-6
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-12-18 14:08:57
What is 2-Acetyl-1-methylpyrrole?
Description
May be prepared from Af-methyl pyrrole and Grignard reagent; by acetylation of 1-methyl-pyrrole.
Chemical properties
CLEAR COLOURLESS TO LIGHT BROWN LIQUID
Occurrence
Reported found as a component in coffee aroma, asparagus, crispbread, cooked beef, black tea, okra and clam.
The Uses of 2-Acetyl-1-methylpyrrole
2-Acetyl-1-methylpyrrole was employed as model pyrrole to investigate the antioxidative activity of nonenzymatic browning reactions. It was employed as catalyst for the sulfonylation of spectinomycin.
Definition
ChEBI: A pyrrole carrying methyl and acetyl substituent at the 1- and 2-positions respectively.
Preparation
From N-methyl pyrrole and Grignard reagent; by acetylation of 1-methyl-pyrrole.
Aroma threshold values
Detection: 100 ppb
Synthesis Reference(s)
Synthetic Communications, 21, p. 557, 1991 DOI: 10.1080/00397919108016783
General Description
Reduction of 2-acetyl-1-methylpyrrole with sodium borohydride has been investigated.
Properties of 2-Acetyl-1-methylpyrrole
| Boiling point: | 200-202 °C (lit.) |
| Density | 1.04 g/mL at 25 °C (lit.) |
| refractive index | n |
| FEMA | 3184 | 1-METHYL-2-ACETYLPYRROLE |
| Flash point: | 155 °F |
| storage temp. | Sealed in dry,Room Temperature |
| form | clear liquid |
| pka | -7.46±0.70(Predicted) |
| Specific Gravity | 1.040 |
| color | Colorless to Yellow to Orange |
| Odor | at 100.00 %. earthy |
| JECFA Number | 1306 |
| BRN | 111887 |
| CAS DataBase Reference | 932-16-1(CAS DataBase Reference) |
| NIST Chemistry Reference | Ethanone, 1-(1-methyl-1H-pyrrol-2-yl)-(932-16-1) |
| EPA Substance Registry System | 2-Acetyl-1-methylpyrrole (932-16-1) |
Safety information for 2-Acetyl-1-methylpyrrole
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H227:Flammable liquids |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P280:Wear protective gloves/protective clothing/eye protection/face protection. P370+P378:In case of fire: Use … for extinction. P403+P235:Store in a well-ventilated place. Keep cool. P501:Dispose of contents/container to..… |
Computed Descriptors for 2-Acetyl-1-methylpyrrole
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