1-[4-(3-Hydroxyphenyl)-1-methylpiperidin-4-yl]ethanone

Base Information

• Chemical Name: 1-[4-(3-Hydroxyphenyl)-1-methylpiperidin-4-yl]ethanone
• CAS No.: 64058-44-2
• Molecular Formula: C₁₄H₁₉NO₂
• Molecular Weight: 233.31
• Hs Code.: 2933399090
• UNII: 2K855U2UGA
• DSSTox Substance ID: DTXSID80214224
• Nikkaji Number: J62.511F
• Wikipedia: Methylketobemidone
• Wikidata: Q6824023
• Mol file: 64058-44-2.mol

Synonyms:64058-44-2;1-[4-(3-hydroxyphenyl)-1-methylpiperidin-4-yl]ethanone;METHYLKETOBEMIDONE;BRN 0200192;KETONE, 4-(m-HYDROXYPHENYL)-1-METHYLISONIPECOTINOYL METHYL;KETOBEMIDONE IMPURITY B;2K855U2UGA;Methyl (4-(m-hydroxyphenyl)-1-methyl)-4-piperidyl ketone;[4-(m-Hydroxyphenyl)-1-methyl-4-piperidyl](methyl) ketone;4-21-00-06104 (Beilstein Handbook Reference);1-(4-(3-Hydroxyphenyl)-1-methylpiperidin-4-yl)ethanone;Ethanone, 1-[4-(3-hydroxyphenyl)-1-methyl-4-piperidinyl]-;ETHANONE, 1-(4-(3-HYDROXYPHENYL)-1-METHYL-4-PIPERIDINYL)-;UNII-2K855U2UGA;SCHEMBL15733769;DTXSID80214224;LS-87242;Q6824023

Chemical Property of 1-[4-(3-Hydroxyphenyl)-1-methylpiperidin-4-yl]ethanone

Chemical Property:

• Vapor Pressure: 2.91E-06mmHg at 25°C
• Melting Point: 158-159 °C
• Refractive Index: 1.5110 (estimate)
• Boiling Point: 378.3°C at 760 mmHg
• PKA: 9.96±0.10(Predicted)
• Flash Point: 182.6°C
• PSA: 40.54000
• Density: 1.112g/cm³
• LogP: 1.88250
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 233.141578849
• Heavy Atom Count: 17
• Complexity: 282

Purity/Quality:

99% ^*data from raw suppliers

Ketobemidone impurity B European Pharmacopoeia (EP) Reference Standard ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1(CCN(CC1)C)C2=CC(=CC=C2)O

Technology Process of 1-[4-(3-Hydroxyphenyl)-1-methylpiperidin-4-yl]ethanone

There total 5 articles about 1-[4-(3-Hydroxyphenyl)-1-methylpiperidin-4-yl]ethanone 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:

1-[4-(3-methoxy-phenyl)-1-methyl-[4]piperidyl]-ethanone (64417-39-6) → 1-[4-(3-hydroxy-phenyl)-1-methyl-[4]piperidyl]-ethanone (64058-44-2)

Guidance literature:

With water; hydrogen bromide;

DOI:10.1002/hlca.19490320736

Reference yield:

→ 1-[4-(3-hydroxy-phenyl)-1-methyl-[4]piperidyl]-ethanone (64058-44-2)

Guidance literature:

With diethyl ether; Edukt 1: aus Thionylchlorid hergestellten Saeurechlorid; : und Erhitzen des Reaktionsprodukts mit konz.wss.Bromwasserstoffsaeure;

Reference yield:

3-methoxyphenylacetonitrile (19924-43-7) → 1-[4-(3-hydroxy-phenyl)-1-methyl-[4]piperidyl]-ethanone (64058-44-2)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium amide; toluene

2: diethyl ether; toluene / und Behandeln des Reaktionsgemisches mit Eis und wss.Salzsaeure

3: water; hydrogen bromide

With diethyl ether; water; hydrogen bromide; sodium amide; toluene;

upstream raw materials:

1-[4-(3-methoxy-phenyl)-1-methyl-[4]piperidyl]-ethanone

3-methoxyphenylacetonitrile

1-methyl-4-(m-methoxyphenyl)-4-cyanopiperidine

nitrogen mustard