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| CAS No.: | 4333-62-4 |
|---|---|
| Name: | 1,3-Dimethylimidazolium iodide |
| Article Data: | 75 |
| Molecular Structure: | |
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|
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| Formula: | C5H9IN2 |
| Molecular Weight: | 224.044 |
| Synonyms: | 1,3-Dimethylimidazoliumiodide (7CI);1H-Imidazolium, 1,3-dimethyl-, iodide (9CI);Imidazolium,1,3-dimethyl-, iodide (8CI);1,3-Dimethyl-1H-imidazolium iodide;1-Methylimidazole methiodide;N,N'-Dimethylimidazolium iodide; |
| EINECS: | 801-371-9 |
| Melting Point: | 84.0 to 89.0 °C |
| PSA: | 8.81000 |
| LogP: | -3.14640 |
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| Conditions | Yield |
|---|---|
| In dichloromethane for 1h; | 100% |
| In dichloromethane at 0℃; for 3h; | 99% |
| at 60℃; | 98% |
- 4333-62-4
1,3-dimethylimidazolim iodide
| Conditions | Yield |
|---|---|
| With triethylamine In N,N-dimethyl-formamide at 140℃; for 20h; Inert atmosphere; Schlenk technique; Sealed tube; | 100% |
- 111931-07-8
2-(Hydroxy-diphenyl-methyl)-1,3-dimethyl-3H-imidazol-1-ium; iodide
A
- 119-61-9
benzophenone
B
- 4333-62-4
1,3-dimethylimidazolim iodide
| Conditions | Yield |
|---|---|
| With potassium carbonate In benzene at 60℃; for 2h; Product distribution; further reagent; var. time; | A 96.6% B n/a |
- 188776-79-6
bis(1,3-dimethyl-1,3-dihydro-2H-imidazol-2-ylidene)diiodonickel(II)
- 4333-62-4
1,3-dimethylimidazolim iodide
| Conditions | Yield |
|---|---|
| With water In acetonitrile at 70℃; for 48h; Kinetics; | 88% |
- 93031-50-6
2-(1-hydroxy-1-phenyl-1-pentyl)-1-methyl-1H-imidazole
A
- 1009-14-9
phenyl butyl ketone
B
- 4333-62-4
1,3-dimethylimidazolim iodide
| Conditions | Yield |
|---|---|
| With methyl iodide In ethyl acetate for 72h; Heating; | A 86% B 63% |
| Conditions | Yield |
|---|---|
| In ethanol for 72h; Heating; | A 86% B 63% |
| With potassium carbonate In benzene Yield given; |
| Conditions | Yield |
|---|---|
| In acetone for 5h; Reflux; | 84% |
- 4333-62-4
1,3-dimethylimidazolim iodide
| Conditions | Yield |
|---|---|
| With triethylamine In N,N-dimethyl-formamide at 140℃; for 20h; Inert atmosphere; Schlenk technique; Sealed tube; | 80% |
| Conditions | Yield |
|---|---|
| In tetrahydrofuran for 4h; Reflux; | 67% |
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Chemistry
Molecular Structure of 1,3-Dimethylimidazolium iodide (CAS No.4333-62-4):
.gif)
Molecular Formula: C5H9IN2
Molecular Weight: 224.04
IUPAC Name: 1,3-Dimethylimidazol-1-ium iodide
CAS No: 4333-62-4
H-Bond Donor: 0
H-Bond Acceptor: 1
Rotatable Bond Count: 0
Topological Polar Surface Area: 8.8
Heavy Atom Count: 8
Formal Charg: 0
Complexity: 55.1
Canonical SMILES: CN1C=C[N+](=C1)C.[I-]
InChI: InChI=1S/C5H9N2.HI/c1-6-3-4-7(2)5-6;/h3-5H,1-2H3;1H/q+1;/p-1
InChIKey: ARSMIBSHEYKMJT-UHFFFAOYSA-M
Uses
1,3-Dimethylimidazolium iodide (CAS No.4333-62-4) can be used as pharmaceutical intermediate.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LDLo | oral | 1600mg/kg (1600mg/kg) | Journal of Pharmaceutical Sciences. Vol. 69, Pg. 327, 1980. |
Safety Profile
Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx and I−.
Specification
1,3-Dimethylimidazolium iodide (CAS No.4333-62-4), it also can be called 1-Methylimidazole methiodide ; 1H-Imidazolium, 1,3-dimethyl-, iodide (1:1) .
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