5-Methyl-2-[(2-nitrophenyl)amino]thiophene-3-carbonitrile
Synonym(s):5-Methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile
- CAS NO.：138564-59-7
- Empirical Formula: C12H9N3O2S
- Molecular Weight: 259.28
- MDL number: MFCD06408054
- EINECS: 421-300-1
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-05-15 10:43:08
![5-Methyl-2-[(2-nitrophenyl)amino]thiophene-3-carbonitrile Structural](https://img.chemicalbook.in/CAS/GIF/138564-59-7.gif)
What is 5-Methyl-2-[(2-nitrophenyl)amino]thiophene-3-carbonitrile?
Chemical properties
Red Solid
The Uses of 5-Methyl-2-[(2-nitrophenyl)amino]thiophene-3-carbonitrile
5-Methyl-2-[(2-nitrophenyl)amino]thiophene-3-carbonitrile is an impurity of Olanzapine (O253750). Olanzapine impurity A (EP).
Synthesis
The preparation of 5-Methyl-2-[(2-nitrophenyl)amino]thiophene-3-carbonitrile was first disclosed in a series of patents from Eli Lilly & Co. in the 1990s, which covered the pharmaceutical active ingredient later marketed as olanzapine. In the first step, a Gewald reaction using propionaldehyde, sulfur and malononitrile formed the thiophene ring system, as 2-amino-5-methylthiophene-3-carbonitrile. The amino group was then reacted with 2-fluoro-nitrobenzene in tetrahydrofuran to provide 5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile.
Properties of 5-Methyl-2-[(2-nitrophenyl)amino]thiophene-3-carbonitrile
| Melting point: | 109.0 to 115.0 °C |
| Boiling point: | 425.4±45.0 °C(Predicted) |
| Density | 1.39±0.1 g/cm3(Predicted) |
| storage temp. | Keep in dark place,Inert atmosphere,Room temperature |
| solubility | Chloroform (Slightly), DMSO (Slightly) |
| pka | -3.24±0.50(Predicted) |
| form | neat |
| color | Light yellow to Amber to Dark green |
| BRN | 7485862 |
| CAS DataBase Reference | 138564-59-7(CAS DataBase Reference) |
Safety information for 5-Methyl-2-[(2-nitrophenyl)amino]thiophene-3-carbonitrile
| Signal word | Warning |
| Pictogram(s) |
 Environment GHS09 |
| GHS Hazard Statements |
H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P273:Avoid release to the environment. P391:Collect spillage. Hazardous to the aquatic environment P501:Dispose of contents/container to..… |
Computed Descriptors for 5-Methyl-2-[(2-nitrophenyl)amino]thiophene-3-carbonitrile
| InChIKey | NPXUFPFFHANGDL-UHFFFAOYSA-N |
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