Name | methyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride |
Synonyms | methyl 1-benzyl-4-oxopiperidin methyl 1-benzyl-4-oxo-3-piperidinecarboxylate HCl 1-BENZYL-3-CARBOMETHOXY-4-PIPERIDONE HYDROCHLORIDE (3S)-1-benzyl-3-(methoxycarbonyl)-4-oxopiperidinium 1-Benzyl-3-methoxycarbonyl-4-piperidonehydrochloride 1-benzyl-3-methoxycarbonyl-4-oxopiperidine hydrochloride methyl1-benzyl-4-oxopiperidine-3-carboxylatehydrochloride methyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride METHYL 1-BENZYL-4-OXO-3-PIPERIDINECARBOXYLATE HYDROCHLORIDE |
CAS | 3939-01-3 |
EINECS | 223-522-2 |
InChI | InChI=1/C14H17NO3/c1-18-14(17)12-10-15(8-7-13(12)16)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3/p+1/t12-/m0/s1 |
Molecular Formula | C14H18ClNO3 |
Molar Mass | 283.75062 |
Melting Point | 185°C (dec.)(lit.) |
Boling Point | 366°C at 760 mmHg |
Flash Point | 175.2°C |
Vapor Presure | 1.5E-05mmHg at 25°C |
Appearance | Crystalline Powder |
Color | White to pink |
Storage Condition | Inert atmosphere,Room Temperature |
Sensitive | Hygroscopic |
MDL | MFCD00012799 |
Physical and Chemical Properties | Crystalline compound. Melting point 185 °c (decomposition). Hygroscopic. |
Safety Description | 24/25 - Avoid contact with skin and eyes. |
WGK Germany | 3 |
HS Code | 29339900 |
uses | piperidone derivatives, as an important pharmaceutical intermediate, are widely used in the molecular structure of many drugs. 4-Piperidone is a representative piperidone derivative. Its carbonyl group, ortho methylene group and nitrogen substitution can undergo many organic reactions, so it is widely used in various drugs. In the design and synthesis of molecules. Intermediate of penfluridol and trifluoroprene. |
Preparation | Using 3-bromo-4-oxopiperidin-1-benzyl and dimethyl carbonate as raw materials, the target compound is synthesized through nucleophilic substitution reaction 1-benzyl-3-methoxycarbonyl-4-piperidone hydrochloride [1]. The synthesis reaction formula is as follows: Figure 1 1-benzyl -3-methoxycarbonyl -4-piperidone hydrochloride synthesis reaction formula |
Production method | Benzylamine and methyl acrylate are added under heating and reflux to generate N,N-bis (β-methyl propionate) benzylamine, and then refluxing with the participation of sodium methoxide to produce free 1-benzyl-3-methoxycarbonyl-4-piperidone, and hydrochloric acid is used to form a salt to prepare the product. |