Norpipanone

Base Information

• Chemical Name: Norpipanone
• CAS No.: 561-48-8
• Molecular Formula: C23H29 N O
• Molecular Weight: 335.489
• European Community (EC) Number: 209-220-3
• UNII: 127X8DJ74M
• DSSTox Substance ID: DTXSID60204643
• Nikkaji Number: J6.495E
• Wikipedia: Norpipanone
• Wikidata: Q7053205
• NCI Thesaurus Code: C75070
• Metabolomics Workbench ID: 155765
• ChEMBL ID: CHEMBL2105188
• Mol file: 561-48-8.mol

Synonyms:Norpipanone;Hexalgon;Hoechst 10495;Norpipanona;Norpipanonum;Orfenso-;561-48-8;Norpipanone [INN:BAN:DCF];Norpipanonum [INN-Latin];Norpipanona [INN-Spanish];HOECHST-10495;UNII-127X8DJ74M;IDS-NN-009;127X8DJ74M;4,4-DIPHENYL-6-(1-PIPERIDYL)-3-HEXANONE;EINECS 209-220-3;4,4-Diphenyl-6-piperidino-3-hexanon;6-Piperidino-4,4-diphenyl-3-hexanon;3-Hexanone, 4,4-diphenyl-6-(1-piperidinyl)-;Norpipanon;Hoechst 10,495;NORPIPANONE [MI];NORPIPANONE [INN];SCHEMBL25085;Norpipanone [BAN:DCF:INN];DEA No. 9636;CHEMBL2105188;DTXSID60204643;CHEBI:135425;1-Piperidino-3,3-diphenyl-4-hexanone;3-Hexanone, 4,4-diphenyl-6-piperidino-;4,4-Diphenyl-6-(1-piperidinyl)-3-hexanone #;Q7053205

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Chemical Property of Norpipanone

Chemical Property:

• Vapor Pressure: 1.38E-09mmHg at 25°C
• Boiling Point: 485.7°Cat760mmHg
• PKA: 9.01±0.10(Predicted)
• Flash Point: 178.8°C
• PSA: 20.31000
• Density: 1.039g/cm³
• LogP: 4.76570
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 335.224914549
• Heavy Atom Count: 25
• Complexity: 382

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)C(CCN1CCCCC1)(C2=CC=CC=C2)C3=CC=CC=C3

Technology Process of Norpipanone

There total 6 articles about Norpipanone 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:

2,2-diphenyl-4-piperidin-1-yl-butyronitrile (5424-08-8) + ethylmagnesium bromide (925-90-6) → norpipanone (561-48-8)

Guidance literature:

With toluene; Erwaermen des Reaktionsgemisches mit wss. Bromwasserstoffsaeure oder wss. Salzsaeure_.;

Reference yield:

Diphenylacetonitrile (86-29-3) → norpipanone (561-48-8)

Guidance literature:

Multi-step reaction with 3 steps

1: benzene; sodium amide / anschliessendes Erwaermen mit 1.2-Dibrom-aethan

3: toluene / Erwaermen des Reaktionsgemisches mit wss. Bromwasserstoffsaeure oder wss. Salzsaeure_.

With sodium amide; toluene; benzene;

Reference yield:

piperidine (110-89-4) → norpipanone (561-48-8)

Guidance literature:

Multi-step reaction with 2 steps

2: toluene / Erwaermen des Reaktionsgemisches mit wss. Bromwasserstoffsaeure oder wss. Salzsaeure_.

With toluene;

upstream raw materials:

ethylmagnesium iodide

2,2-diphenyl-4-piperidin-1-yl-butyronitrile

ethylmagnesium bromide

2,2-diphenyl-4-piperidino-butyric acid ethyl ester