| Identification | Back Directory | [Name]
3-(2,2,2-Trimethylhydrazine)methylpropionate bromide | [CAS]
106966-25-0 | [Synonyms]
Meldonium impurity C CRS
3-(2,2,2-Trimethylhydrazinyl)Methyl Propionate Bromide (Thmp)
2-(3-Methoxy-3-oxopropyl)-1,1,1-trimethylhydrazin-1-ium Bromide
3-(2,2,2-Trimethylhydrazinyl)-propanoic acid methyl ester bromide
PROPANOIC ACID, 3-(2,2,2-TRIMETHYLHYDRAZINYL)-, METHYL ESTER BROMIDE
Hydrazinium, 2-(3-methoxy-3-oxopropyl)-1,1,1-trimethyl-, bromide (1:1) | [EINECS(EC#)]
463-070-5 | [Molecular Formula]
C7H17N2O2.Br | [MDL Number]
MFCD10465251 | [MOL File]
106966-25-0.mol | [Molecular Weight]
241.127 |
| Chemical Properties | Back Directory | [density ]
1.38 at 20℃ | [vapor pressure ]
5hPa at 20-25℃ | [storage temp. ]
2-8°C | [Major Application]
pharmaceutical (small molecule) | [InChI]
1S/C7H17N2O2.BrH/c1-9(2,3)8-6-5-7(10)11-4;/h8H,5-6H2,1-4H3;1H/q+1;/p-1 | [InChIKey]
XOTJZTAARPYKNA-UHFFFAOYSA-M | [SMILES]
[Br-].[N+](NCCC(=O)OC)(C)(C)C | [LogP]
-3.26 at 24℃ and pH6.2 |
| Hazard Information | Back Directory | [Uses]
3-(2,2,2-Trimethylhydrazine)methylpropionate bromide can be used as organic synthesis intermediates and pharmaceutical intermediates, mainly used in laboratory research and development processes and chemical production processes. | [Synthesis]
In a three-necked round bottom flask equipped with a mechanical stirrer, a dropping funnel and a reflux condenser, 172 g (2 mol) of methyl acrylate was added, and under cooling, 132 g (2.2 mol) of 1,1-dimethylhydrazine was added dropwise. After a period of 2 hours, the reaction mixture was heated at the same temperature until methyl 3-(2,2-dimethylhydrazo)propionate was formed (monitored by GM-MS). The above methyl 3-(2,2-dimethylhydrazinyl)propanoate product was dissolved in 40% ethanol (350 ml), cooled to 0 ° C, and methyl bromide (189 g, 1.99 mol) was passed for 1 hour, and the temperature was continued. After stirring for 0, 5 hours, the yellow or brown precipitate was filtered off, and the crude product was washed with acetone (1000 ml). The crude 3-(2,2,2-trimethylhydrazine) propionate methyl bromide was dried (265.7 g, yield 91.0%); the crude product was recrystallized from ethanol and dried to give 219.8 g of pale yellow crystalline powder. The rate is 75.3%, the melting point is 130-132°C, and the main content is 103.3%. (The stability is verified by the stability test. The stability is poor, the color gradually becomes deeper. Because the trace impurities contained in the product have a great influence on the product, it is found to have molecular decay and various indicators. Larger, the product is valid for up to two years). |
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| Company Name: |
Merck KGaA
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21-20338288 |
| Website: |
www.sigmaaldrich.cn |
| Company Name: |
Alfa Chemistry
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+1 (201) 478-8534 |
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www.alfa-chemistry.com |
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