278173-23-2 - Names and Identifiers
Name | (5S)-2,2,3-trimethyl-5-phenylmethyl-4-imidazolidinone monohydrochloride
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Synonyms | (S)-5-Benzyl-2,2,3-trimethylimidazolidin-4-one hydrochloride (5S)-5-benzyl-2,2,3-trimethylimidazolidin-4-one hydrochloride (5S)-2,2,3-TriMethyl-5-benzyl-4-iMidazolidinone hydrochloride (5S)-(-)-2,2,3-Trimethyl-5-benzyl-4-imidazolidinone monohydrochloride (5S)-2,2,3-trimethyl-5-phenylmethyl-4-imidazolidinone monohydrochloride (S)-(-)-5-Benzyl-2,2,3-trimethyl-4-imidazolidinone Hydrochloride (This product is only available in Japan.)
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CAS | 278173-23-2
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InChI | InChI=1/C13H18N2O.ClH/c1-13(2)14-11(12(16)15(13)3)9-10-7-5-4-6-8-10;/h4-8,11,14H,9H2,1-3H3;1H/t11-;/m0./s1 |
278173-23-2 - Physico-chemical Properties
Molecular Formula | C13H18N2O.ClH
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Molar Mass | 254.759 |
Melting Point | 157-161°C(lit.) |
Boling Point | 351°C at 760 mmHg |
Flash Point | 166.1°C |
Vapor Presure | 4.24E-05mmHg at 25°C |
Storage Condition | Room Temprature |
278173-23-2 - Risk and Safety
278173-23-2 - Introduction
(5S)-(-)-2,2, 3-trimethyl-5-benzyl-4-imidazolidinone monohydrochloride is a compound having the formula C16H22ClN3O. The following is a description of the properties, uses, preparation and safety information of the compound:
Nature:
-Appearance: White or off-white crystalline powder
-Melting point: about 145-150 degrees Celsius
-Solubility: soluble in acid, slightly soluble in ethanol and methanol, almost insoluble in water
Use:
-As an important chiral intermediate, it has a wide range of applications in the synthesis of drugs and organic chemical reactions.
-In the pharmaceutical field, it can be used to synthesize drug intermediates or as reagents.
-In organic synthesis, it can be used as chiral inducer or catalyst.
Method:
The preparation of (5S)-(-)-2,2, 3-trimethyl-5-benzyl-4-imidazolidinone monohydrochloride is usually achieved by the following steps:
1. In an appropriate solvent, 2,6-dimethyl benzyl alcohol and isocyanate are reacted to generate the corresponding 2,6-dimethyl benzyl isonitrile.
2. React 2,6-dimethyl benzyl isonitrile with ethanolamine to generate the corresponding 2,6-dimethyl benzyl isonitrile amide.
3. React 2,6-dimethyl benzyl isonitrile amide with propanesulfonyl chloride or propanesulfonyl chloride to generate the corresponding 2,6-dimethyl benzyl imidazolidinone.
4. Finally, the generated 2,6-dimethylbenzyl imidazolidinone is reacted with hydrochloric acid to obtain the target product.
Safety Information:
-No specific toxicological and physiological hazards have been reported for this compound, but laboratory safety procedures still need to be closely followed.
-When using this compound, wear appropriate protective equipment, such as laboratory gloves and goggles.
-Avoid inhalation, ingestion or contact with skin and eyes during operation.
-When storing and handling compounds, take care to avoid contact with oxidizing agents, strong acids or strong bases.
-National, regional or institutional regulations and guidelines should be strictly followed when using or disposing of compounds.
Last Update:2024-04-09 21:00:56