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CAS No.: | 36913-39-0 |
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Name: | MPP+ IODIDE |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C12H12IN |
Molecular Weight: | 297.138 |
Synonyms: | 1-Methyl-4-phenylpyridiniumiodide (7CI);Pyridinium, 1-methyl-4-phenyl-, iodide (9CI);N-Methyl-4-phenylpyridinium iodide; |
Melting Point: | 166-168 °C |
Boiling Point: | 281 °C at 760 mmHg |
Flash Point: | 111.1 °C |
Solubility: | soluble in 0.1 M HCl |
Appearance: | yellow solid |
Hazard Symbols: | T |
Risk Codes: | 23/24/25-36/37/38 |
Safety: | 26-36-45 |
Transport Information: | UN 2811 |
PSA: | 12.89000 |
LogP: | 3.74680 |
The Pyridinium, 1-methyl-4-phenyl-, iodide (1:1), with the CAS registry number 36913-39-0, is also known as N-Methyl-4-phenylpyridinium iodide. This chemical's molecular formula is C12H12IN and molecular weight is 297.13. What's more, its systematic name is 1-Methyl-4-phenylpyridinium iodide. In addition, this chemical is an active neurotoxic metabolite of 1-Methyl-4-phenyl-1, 2, 3, 6-tetrahydropyridine. The compound reduces dopamine levels, inhibits the biosynthesis of catecholamines, depletes cardiac norepinephrine and inactivates tyrosine hydroxylase.
Preparation of Pyridinium, 1-methyl-4-phenyl-, iodide (1:1): this chemical is prepared by reaction of 4-Bromo-1-methylpyridinium iodide with Tributyl-phenyl stannane. This reaction needs reagent P(o-Tol)3, catalyst Pd2(dba)3 and solvent Dimethylformamide. The reaction temperature is 20 °C. The yield is about 64 %.
Uses of Pyridinium, 1-methyl-4-phenyl-, iodide (1:1): it is used to produce other chemicals. For example, it is used to produce 1-Methyl-4-phenyl-1, 2, 3, 6-tetrahydro-pyridine. The reaction needs reagent Sodium borohydride and solvent Methanol. The yield is about 92 %.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical is toxic by inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: C[n+]1ccc(cc1)c2ccccc2.[I-]
(2) InChI: InChI=1/C12H12N.HI/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11;/h2-10H,1H3;1H/q+1;/p-1
(3) InChIKey: RFDFRDXIIKROAI-REWHXWOFAN
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 29mg/kg (29mg/kg) | Pharmaceutical Chemistry Journal Vol. 27, Pg. 723, 1993. | |
mouse | LD50 | subcutaneous | 22300ug/kg (22.3mg/kg) | SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS | Journal of Pharmacology and Experimental Therapeutics. Vol. 247, Pg. 531, 1988. |