1-(4-Phenylpiperidin-4-yl)butan-1-one hydrochloride

Base Information

• Chemical Name: 1-(4-Phenylpiperidin-4-yl)butan-1-one hydrochloride
• CAS No.: 15847-65-1
• Molecular Formula: C15H21 N O . Cl H
• Molecular Weight: 267.799
• European Community (EC) Number: 239-960-2
• NSC Number: 57801
• UNII: R98W39TYX4
• DSSTox Substance ID: DTXSID10166429
• Mol file: 15847-65-1.mol

Synonyms:1-(4-Phenylpiperidin-4-yl)butan-1-one hydrochloride;15847-65-1;1-(4-Phenylpiperidin-4-yl)butan-1-one HCl;EINECS 239-960-2;1-(4-phenylpiperidin-4-yl)butan-1-one;hydrochloride;NSC-57801;4-butyryl-4-phenylpiperidine hydrochloride;1-Butanone, 1-(4-phenyl-4-piperidinyl)-, hydrochloride (1:1)OTHER CA INDEX NAMES:1-Butanone, 1-(4-phenyl-4-piperidinyl)-, hydrochloride;starbld0017238;R98W39TYX4;SCHEMBL1308247;DTXSID10166429;SABJIJOJSHRGSB-UHFFFAOYSA-N;NSC57801;NSC 57801;4-Butanoyl-4-phenylpiperidine hydrochloride;FT-0722196;1-(4-phenylpiperidin-4-yl)-butan-1-one hydrochloride;1-Butanone, 1-(4-phenyl-4-piperidinyl)-, hydrochloride;1-Butanone, 1-(4-phenyl-4-piperidinyl)-, hydrochloride (1:1)

Chemical Property of 1-(4-Phenylpiperidin-4-yl)butan-1-one hydrochloride

Chemical Property:

• Vapor Pressure: 3.29E-05mmHg at 25°C
• Boiling Point: 354.7°Cat760mmHg
• Flash Point: 126.6°C
• Density: 1.008g/cm³
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 267.1389920
• Heavy Atom Count: 18
• Complexity: 250

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)C1(CCNCC1)C2=CC=CC=C2.Cl

Technology Process of 1-(4-Phenylpiperidin-4-yl)butan-1-one hydrochloride

There total 1 articles about 1-(4-Phenylpiperidin-4-yl)butan-1-one hydrochloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 55.0%

4-butyryl-4-phenyl-1-(toluene-4-sulfonyl)-piperidine (22940-57-4) → 1-(4-phenylpiperidin-4-yl)-butan-1-one hydrochloride (15847-65-1)

Guidance literature:

4-butyryl-4-phenyl-1-(toluene-4-sulfonyl)-piperidine; With sulfuric acid; In ethanol; water; for 72h; Reflux;

With sodium hydroxide; In ethanol; water; Cooling with ice;

With hydrogenchloride; In diethyl ether; ethyl acetate;

Reference yield: 61.0%

1-(4-phenylpiperidin-4-yl)-butan-1-one hydrochloride (15847-65-1) → 1-(4-cyclohexylpiperidin-4-yl)butan-1-one (1225591-16-1)

Guidance literature:

With hydrogen; acetic acid; Rh/Al₂O₃; In 1,4-dioxane; at 80 ℃; for 12h; under 4500.45 Torr;

Reference yield: 44.0%

1-(4-phenylpiperidin-4-yl)-butan-1-one hydrochloride (15847-65-1) + N-(9-fluorenylmethoxycarbonyl)-O-methyl-L-tyrosine (77128-72-4,201335-88-8) → 1-{1-[(S)-2-amino-3-(4-methoxyphenyl)propionyl]-4-phenylpiperidin-4-yl}butan-1-one (1225652-23-2)

Guidance literature:

N-(9-fluorenylmethoxycarbonyl)-O-methyl-L-tyrosine; With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; N,N-dimethyl-formamide; at 20 ℃; for 0.5h;

1-(4-phenylpiperidin-4-yl)-butan-1-one hydrochloride; With triethylamine; In dichloromethane; N,N-dimethyl-formamide; for 2h;

upstream raw materials:

4-butyryl-4-phenyl-1-(toluene-4-sulfonyl)-piperidine

Downstream raw materials:

1-(4-cyclohexylpiperidin-4-yl)butan-1-one

1-{1-[(S)-2-amino-3-(4-methoxyphenyl)propionyl]-4-phenylpiperidin-4-yl}butan-1-one

Refernces

• 1、 -. "MELANOCORTIN RECEPTOR MODULATORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS". Page/Page column 56. . Retrieved 2010/06/11.