| Identification | More | [Name]
2-Propylimidazole | [CAS]
50995-95-4 | [Synonyms]
2-N-PROPYLIMIDAZOLE
2-propyl-1h-imidazole
2-PROPYLIMIDAZOLE
2-propyl-1h-imidazol
2-PROPYLIMIDAZOLE, TECH., 92%
1H-Imidazole, 2-propyl-
2-PROPYLIMIDAZOLE 92+%
2-N-PROPYLIMIDAZOLE 95+% | [EINECS(EC#)]
256-902-1 | [Molecular Formula]
C6H10N2 | [MDL Number]
MFCD00059158 | [Molecular Weight]
110.16 | [MOL File]
50995-95-4.mol |
| Chemical Properties | Back Directory | [Melting point ]
56-62°C | [Boiling point ]
152 °C / 15mmHg | [density ]
0.9894 (rough estimate) | [refractive index ]
1.4700 (estimate) | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
powder to crystal | [pka]
14.44±0.10(Predicted) | [color ]
White to Light yellow | [InChI]
InChI=1S/C6H10N2/c1-2-3-6-7-4-5-8-6/h4-5H,2-3H2,1H3,(H,7,8) | [InChIKey]
MKBBSFGKFMQPPC-UHFFFAOYSA-N | [SMILES]
C1(CCC)NC=CN=1 | [CAS DataBase Reference]
50995-95-4(CAS DataBase Reference) | [EPA Substance Registry System]
50995-95-4(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S37/39:Wear suitable gloves and eye/face protection . | [HS Code ]
2933299090 |
| Hazard Information | Back Directory | [Chemical Properties]
Class white to pale yellow crystalline powder | [Uses]
2-Propylimidazole is an imidazole compound and can be used as a synthetic intermediate. It is also a new type of fluoroquinolone antibacterial agent and can be used to treat some disease infections. | [Synthesis]
2-Propylimidazole is prepared from ammonia solution, butyraldehyde and oxalate dialdehyde as raw materials.The synthetic route is:
butyraldehyde + glyoxal (aqueous solution) + ammonia water (water) → 2-Propylimidazole.
The specific steps are as follows: Firstly, add a mixed solution of glyoxal and butyraldehyde to the reactor of the isomerization synthesis device; Then open the cooling water valve and add ammonia water dropwise under temperature control. Restart the aqueous phase pump and the organic phase pump, continue to control the temperature, and reflux the reaction for 6 hours. The process was carried out under reduced pressure (4000Pa), the water was distilled off, and then cooled, crystallized and filtered to obtain the crude 2-Propylimidazole. | [References]
[1] Journal of Organic Chemistry, 2006, vol. 71, # 11, p. 4216 - 4221
[2] Patent: WO2006/138396, 2006, A2. Location in patent: Page/Page column 47-48
[3] Archiv der Pharmazie, 1988, vol. 321, # 4, p. 193 - 197
[4] Monatshefte fuer Chemie, 1888, vol. 9, p. 609
[5] European Journal of Organic Chemistry, 2013, # 6, p. 1068 - 1079 |
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