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CAS No.: | 473987-07-4 |
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Name: | ETHYL 4-PIPERIDINEBUTYRATE HCL |
Molecular Structure: | |
Formula: | C11H21NO2.ClH |
Molecular Weight: | 235.75 |
Synonyms: | 4-Piperidinebutanoicacid, ethyl ester, hydrochloride (9CI); |
Boiling Point: | 305.8 °C at 760 mmHg |
Flash Point: | 138.7 °C |
PSA: | 38.33000 |
LogP: | 2.85020 |
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This chemical is called Ethyl 4-(piperidin-4-yl)butanoate hydrochloride (1:1), and it can also be named as 4-Piperidinebutanoic acid, ethyl ester, hydrochloride (1:1). With the molecular formula of C11H21NO2.ClH, its molecular weight is 235.75. The CAS registry number of this chemical is 473987-07-4.
Other characteristics of the Ethyl 4-(piperidin-4-yl)butanoate hydrochloride (1:1) can be summarised as followings: (1)ACD/LogP: 1.91; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 38.33 Å2; (7)Flash Point: 138.7 °C; (8)Enthalpy of Vaporization: 55.72 kJ/mol; (9)Boiling Point: 305.8 °C at 760 mmHg; (10)Vapour Pressure: 0.000597 mmHg at 25°C.
Uses of this chemical: The Ethyl 4-(piperidin-4-yl)butanoate hydrochloride (1:1) could react with (3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazeπne-3-acetic acid, and obtain the ethyl 1-[[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl]piperidine-4-butyrate. This reaction needs the reagents of diethylphosphoryl cyanide, Et3N, and the solvent of dimethylformamide. The yield is 73 %. In addition, this reaction should be taken for 30 minutes at the temperature of 20 °C.
You can still convert the following datas into molecular structure:
1.SMILES: Cl.CCOC(=O)CCCC1CCNCC1
2.InChI: InChI=1/C11H21NO2.ClH/c1-2-14-11(13)5-3-4-10-6-8-12-9-7-10;/h10,12H,2-9H2,1H3;1H
3.InChIKey: NMPWYBAVVLQTIN-UHFFFAOYAF