39742-60-4

Basic information

• Product Name: 1-Phenethyl-4-piperidone
• Synonyms: 1-(2-phenylethyl)-4-piperidinon;1-(beta-phenethyl)piperidone;1-phenethyl-4-piperidon;N-(2-PHENYLETHYL)-4-PIPERIDONE;N-(2-PHENETHYL)-4-PIPERIDONE;LABOTEST-BB LT00159981;1-PHENETHYL-4-PIPERIDONE;1-(2-PHENETHYL)-4-PIPERIDONE
• CAS NO: 39742-60-4
• Molecular Formula: C₁₃H₁₇NO
• Molecular Weight: 203.28
• EINECS: 254-613-5
• Product Categories: Piperidine;API intermediates;Benzenes;Building Blocks;Heterocyclic Building Blocks;Piperidones;Aromatics;Heterocycles;Intermediates;Intermediates & Fine Chemicals;Pharmaceuticals;research chemical;pharmaceutical intermediates
• Mol File: 39742-60-4.mol
• Article Data: 18

Chemical Properties

• Melting Point: 57-60 °C(lit.)
• Boiling Point: 341.6°C (rough estimate)
• Flash Point: 144.2 °C
• Appearance: yellow-brown crystalline powder
• Density: 1.0156 (rough estimate)
• Vapor Pressure: 0.0563mmHg at 25°C
• Refractive Index: 1.5400 (estimate)
• Storage Temp.: Store below +30°C.
• Solubility: ethanol: soluble, clear to hazy, light yellow to yellow (50 mg/m
• PKA: 8.02±0.20(Predicted)
• BRN: 130302
• CAS DataBase Reference: 1-Phenethyl-4-piperidone(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Phenethyl-4-piperidone(39742-60-4)
• EPA Substance Registry System: 1-Phenethyl-4-piperidone(39742-60-4)

Safety Data

• Hazard Codes: Xn,C,F
• Statements: 22-34-11
• Safety Statements: 22-24/25-45-26-36/37/39-16
• RIDADR: 2811
• WGK Germany: 3
• RTECS: TN8990300
• F: 10
• HazardClass: 6.1(b)
• PackingGroup: III
• Hazardous Substances Data: 39742-60-4(Hazardous Substances Data)

Usage

Description

1-phenethyl-4-piperidone is a derivative of 4-piperidinone, being used as an intermediate during the manufacture of chemicals. It is applied for the manufacturing of phenethyl derivative of the propanamide as well as the synthesis of l-Phenethylazacycloheptan-4 -one. It is also used in drugs such as illicitly manufactured nonpharmaceutical fentanyl (NPF) (a potent agonist of opioidreceptors used for anaesthesia and analgesia.

Chemical Properties

YELLOW-BROWN CRYSTALLINE POWDER

Uses

1-Phenethyl-4-piperidone was used in the preparation of phenethyl derivative of the propanamide. It was also used to synthesize l-Phenethylazacycloheptan-4-one.

References

https://en.wikipedia.org/wiki/N-Phenethyl-4-piperidinone Jones, T. S, et al. "Nonpharmaceutical Fentanyl-Related Deaths — Multiple States, April 2005–March 2007." Morbidity & Mortality Weekly Report 57.29(2008): 793-796. https://www.alfa.com/en/catalog/B21146/

InChI:InChI=1/C9H17NO/c1-8(2)7-10-5-3-9(11)4-6-10/h8H,3-7H2,1-2H3

Upstream product

• 5382-16-1 4-HYDROXYPIPERIDINE 
• 122-78-1 phenylacetaldehyde 
• 626-64-2 pyridin-4-ol 
• 20020-27-3 2-phenylethyl mesylate 
• 64-04-0 phenethylamine 
• 66670-11-9 methyl 1-(2-phenylethyl)-4-oxo-piperidine-3-carboxylate 
• 41979-39-9 4-piperidone hydrochloride 
• 103-63-9 1-phenyl-2-bromoethane 
• 177-11-7 4,4-ethylenedioxy-piperidine 
• 3518-76-1 (RS)-(+/-)-1-phenethylpiperidin-4-ol 
• 16771-89-4 1-(3-phenylethyl)-4-piperidone ethylene ketal 
• 24089-69-8 8-Phenethyl-1,4-dioxa-8-aza-spiro[4.5]decane; hydrochloride 
• 57958-47-1 3,3'-phenethylimino-di-propionic acid diethyl ester 
• 38129-46-3 dimethyl β,β'-(2-phenylethylamino)dipropionate 

Downstream Products

• 118142-39-5 Morpholin-4-yl-(1-phenethyl-piperidin-4-ylidene)-amine 
• 118142-43-1 (6-Chloro-pyridin-3-yl)-(1-phenethyl-piperidin-4-ylidene)-amine 
• 118142-42-0 (2-Chloro-pyridin-3-yl)-(1-phenethyl-piperidin-4-ylidene)-amine 
• 118142-44-2 (1H-Indol-5-yl)-(1-phenethyl-piperidin-4-ylidene)-amine 
• 118142-46-4 (1-Phenethyl-piperidin-4-ylidene)-quinolin-3-yl-amine 
• 118142-45-3 (1H-Indazol-5-yl)-(1-phenethyl-piperidin-4-ylidene)-amine 
• 117523-89-4 Benzo[1,2,5]thiadiazol-4-yl-(1-phenethyl-piperidin-4-ylidene)-amine 
• 174643-62-0 1-(3-phenylethyl)-4-<(ethoxycarbonyl)methylene>piperidine 
• 156757-17-4 1-(2-Phenylethyl)piperidine-4-thiol 
• 425644-16-2 N-(1-phenylpyrazol-3-yl)-N-(1-phenethyl-4-piperidyl)amine 
• 207849-82-9 5-amino-3-(1-(2-phenyleth-1-yl)-1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine 
• 7530-16-7 1-(2-cyclohexyl-ethyl)-piperidine 
• 443890-69-5 1-(2-cyclohexyl-ethyl)-piperidin-4-one 

Relevant articles and documents

Improved procedure for the preparation of 1-(2-phenethyl)-4-piperidone

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Carbon isotope labeling of carbamates by late-stage [11C], [13C] and [14C]carbon dioxide incorporation

A general procedure for the late-stage [11C], [13C] and [14C]carbon isotope labeling of cyclic carbamates is reported. This protocol allows the incorporation of carbon dioxide, the primary source of carbon-14 and carbon-11 radioisotopes, in a direct, cost-effective and sustainable manner. A disconnection/reconnection strategy, involving ring opening/isotopic closure, was also implemented.

Nitro-Aldol Approach for Commercial Manufacturing of Fenspiride Hydrochloride

An efficient, short manufacturing process for fenspiride hydrochloride is reported. Nitro-aldol condensation is the key reaction in the developed process. Improved routes to key building blocks are demonstrated by expedient multikilogram production. Hazardous reactions are avoided. API produced following this new route meets the quality requirement NLT 99.70% purity by HPLC with any individual impurity NMT 0.10% with very good yield.