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39742-60-4

39742-60-4 Structure

39742-60-4 Structure
IdentificationMore
[Name]

1-Phenethyl-4-piperidone
[CAS]

39742-60-4
[Synonyms]

1-(2-PHENETHYL)-4-PIPERIDONE
1-(2-PHENETHYL)PIPERIDIN-4-ONE
1-(2-PHENYLETHYL)-4-PIPERIDINONE
1-(2-PHENYLETHYL)-4-PIPERIDONE
1-(BETA-PHENETHYL)-4-PIPERIDONE
1-PHENETHYL-4-PIPERIDONE
LABOTEST-BB LT00159981
N-(2-PHENETHYL)-4-PIPERIDONE
N-(2-PHENYLETHYL)-4-PIPERIDONE
1-(2-phenylethyl)-4-piperidinon
1-(beta-phenethyl)piperidone
1-phenethyl-4-piperidon
N-Phenethyl-4-piperidone
1-Phenethyl-4-piperidone hydrochloride
1-Phenylethyl-4-Piperidone
1-PHENETHYLPIPERIDIN-4-ONE
4-Piperidone, 1-phenethyl-
[EINECS(EC#)]

254-613-5
[Molecular Formula]

C13H17NO
[MDL Number]

MFCD00006193
[Molecular Weight]

203.28
[MOL File]

39742-60-4.mol
Chemical PropertiesBack Directory
[Appearance]

YELLOW-BROWN CRYSTALLINE POWDER
[Melting point ]

57-60 °C(lit.)
[Boiling point ]

341.6°C (rough estimate)
[density ]

1.0156 (rough estimate)
[refractive index ]

1.5400 (estimate)
[storage temp. ]

Store below +30°C.
[solubility ]

ethanol: soluble, clear to hazy, light yellow to yellow (50 mg/mL)
[form ]

A crystalline solid
[pka]

8.02±0.20(Predicted)
[BRN ]

130302
[InChI]

1S/C13H17NO/c15-13-7-10-14(11-8-13)9-6-12-4-2-1-3-5-12/h1-5H,6-11H2
[InChIKey]

YDJXNYNKKXZBMP-UHFFFAOYSA-N
[SMILES]

O=C1CCN(CC1)CCc2ccccc2
[CAS DataBase Reference]

39742-60-4(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P264-P270-P301+P312a-P330-P501a
[Hazard Codes ]

Xn,C,F
[Risk Statements ]

R22:Harmful if swallowed.
R34:Causes burns.
R11:Highly Flammable.
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S16:Keep away from sources of ignition-No smoking .
[RIDADR ]

2811
[WGK Germany ]

3
[RTECS ]

TN8990300
[F ]

10
[REACH Registrations]

Active
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[HS Code ]

29333999
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Methyl acrylate-->Methyl 1 - (2 - phenylethyl) - 4 - oxo - piperidine - 3 - carboxylate-->Dimethyl β,β'-(2-phenylethylamino)dipropionate-->8-Phenethyl-1,4-dioxa-8-aza-spiro[4.5]decane-->1-phenethylpiperidin-4-ol-->4-oxopiperidinium chloride-->(2-Bromoethyl)benzene
[Preparation Products]

p-Fluoro Fentanyl
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1-Phenethyl-4-piperidone(39742-60-4).msds
Questions and Answers (Q&A)Back Directory
[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.
[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/
Hazard InformationBack Directory
[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.
[Uses]

An intermediate of Fentanyl (F275000) and Fenspiride (F265000).
Spectrum DetailBack Directory
[Spectrum Detail]

1-Phenethyl-4-piperidone(39742-60-4)1HNMR
1-Phenethyl-4-piperidone(39742-60-4)Raman
1-Phenethyl-4-piperidone(39742-60-4)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1-(beta-Phenethyl)-4-piperidone, 98%(39742-60-4)
[Alfa Aesar]

1-(2-Phenylethyl)-4-piperidone, 98%(39742-60-4)
[Sigma Aldrich]

39742-60-4(sigmaaldrich)
[TCI AMERICA]

1-(2-Phenylethyl)-4-piperidone,>98.0%(GC)(T)(39742-60-4)
39742-60-4 suppliers list
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