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| CAS No.: | 625-82-1 |
|---|---|
| Name: | 2,4-Dimethylpyrrole |
| Molecular Structure: | |
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| Formula: | C6H9N |
| Molecular Weight: | 95.1442 |
| Synonyms: | Pyrrole,2,4-dimethyl- (6CI,7CI,8CI);2,4-Dimethyl-1-pyrrole;2,4-Dimethyl-1H-pyrrole;NSC 81347; |
| EINECS: | 210-912-2 |
| Density: | 0.924 g/cm3 |
| Melting Point: | 6.5°C (estimate) |
| Boiling Point: | 171 °C at 760 mmHg |
| Flash Point: | 56.6 °C |
| Appearance: | clear light yellow to light yellow-orange liquid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36-37/39 |
| PSA: | 15.79000 |
| LogP: | 1.63150 |
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- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
| Conditions | Yield |
|---|---|
| With potassium hydroxide In ethylene glycol at 160℃; for 4h; Schlenk technique; Inert atmosphere; | 92% |
| With potassium hydroxide In ethylene glycol at 160℃; for 4h; Inert atmosphere; Schlenk technique; | 92% |
| With potassium hydroxide In ethylene glycol at 160℃; | 92% |
| Conditions | Yield |
|---|---|
| With ethylene glycol; potassium hydroxide; hydrazinium sulfate for 1h; Reflux; without air access; | 75% |
| With phosphoric acid | |
| With ethylene glycol; potassium hydroxide |
- 90433-85-5
1-(1,2,5-trimethyl-1H-pyrrol-3-yl)-ethanone
A
- 625-82-1
2,4-dimethyl-1H-pyrrole
B
- 930-87-0
1,2,5-trimethyl-1H-pyrrole
| Conditions | Yield |
|---|---|
| With ethylene glycol; toluene-4-sulfonic acid In benzene for 0.25h; Heating; | A 68% B 68% |
- 625-82-1
2,4-dimethyl-1H-pyrrole
| Conditions | Yield |
|---|---|
| With hydrogenchloride In tetrachloromethane for 0.166667h; | 65% |
- 2199-44-2
3,5-dimethyl-2-ethoxycarbonyl-1H-pyrrole
- 540-88-5
acetic acid tert-butyl ester
A
- 625-82-1
2,4-dimethyl-1H-pyrrole
B
- 28991-95-9
ethyl 4-tert-butyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
| Conditions | Yield |
|---|---|
| With sulfuric acid In nitromethane at 75℃; for 4h; | A n/a B 49% |
- 2386-25-6
2,4-dimethyl-3-acetylpyrrole
A
- 625-82-1
2,4-dimethyl-1H-pyrrole
B
- 628-35-3
ethylene glycol monoformate
| Conditions | Yield |
|---|---|
| With ethylene glycol; toluene-4-sulfonic acid In benzene for 0.25h; Heating; | A 40% B n/a |
- 625-82-1
2,4-dimethyl-1H-pyrrole
| Conditions | Yield |
|---|---|
| With ammonia; sodium In tetrahydrofuran under 6000.5 - 7500.6 Torr; for 3h; Ambient temperature; | 32% |
| Conditions | Yield |
|---|---|
| With ammonia Gegenwart von aktiviertem Aluminiumoxid; |
| Conditions | Yield |
|---|---|
| With ethanol; ammonia |
| Conditions | Yield |
|---|---|
| at 200℃; |
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Specification
The 1H-Pyrrole,2,4-dimethyl-, with the CAS registry number 625-82-1, is also known as 2,4-Dimethylpyrrole. It belongs to the product categories of Pharmaceutial Intermediates; Imidazoles, Pyrroles, Pyrazoles, Pyrrolidines; Building Blocks; Heterocyclic Building Blocks; Pyrroles. Its EINECS registry number is 210-912-2. This chemical's molecular formula is C6H9N and molecular weight is 95.14236. Its IUPAC name is called 2,4-dimethyl-1H-pyrrole. The product should be sealed and stored in cool and dry place. What's more, it should be protected from strong oxides.
Physical properties of 1H-Pyrrole,2,4-dimethyl-: (1)ACD/LogP: 1.67; (2)ACD/LogD (pH 5.5): 1.67; (3)ACD/LogD (pH 7.4): 1.67; (4)ACD/BCF (pH 5.5): 10.95; (5)ACD/BCF (pH 7.4): 10.95; (6)ACD/KOC (pH 5.5): 192.97; (7)ACD/KOC (pH 7.4): 193; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)Index of Refraction: 1.516; (11)Molar Refractivity: 30.33 cm3; (12)Molar Volume: 100.3 cm3; (13)Surface Tension: 33.9 dyne/cm; (14)Density: 0.948 g/cm3; (15)Flash Point: 56.6 °C; (16)Enthalpy of Vaporization: 39.07 kJ/mol; (17)Boiling Point: 171 °C at 760 mmHg; (18)Vapour Pressure: 1.9 mmHg at 25°C.
Uses of 1H-Pyrrole,2,4-dimethyl-: it can be used to produce 1-(diethoxyphosphino)-2,4-dimethylpyrrole at temperature of -10 °C. This reaction will need reagent (C2H5)3N and solvent diethyl ether with reaction time of 1 hour. The yield is about 45%.
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When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC(=CN1)C
(2)InChI: InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3
(3)InChIKey: MFFMQGGZCLEMCI-UHFFFAOYSA-N