beta,beta-Dimethyl-alpha-phenyl-1-piperidinepropanol

Base Information

• Chemical Name: beta,beta-Dimethyl-alpha-phenyl-1-piperidinepropanol
• CAS No.: 78978-12-8
• Molecular Formula: C₁₆H₂₅NO
• Molecular Weight: 247.381
• DSSTox Substance ID: DTXSID901264850
• Mol file: 78978-12-8.mol

Synonyms:beta,beta-Dimethyl-alpha-phenyl-1-piperidinepropanol;DTXSID901264850;AKOS012495776;78978-12-8

Chemical Property of beta,beta-Dimethyl-alpha-phenyl-1-piperidinepropanol

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 247.193614421
• Heavy Atom Count: 18
• Complexity: 240

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(CN1CCCCC1)C(C2=CC=CC=C2)O

Technology Process of beta,beta-Dimethyl-alpha-phenyl-1-piperidinepropanol

There total 3 articles about beta,beta-Dimethyl-alpha-phenyl-1-piperidinepropanol 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: 61.0%

α,α-dimethyl-β-piperidinopropiophenone (158176-59-1) → 1-Phenyl-2,2-dimethyl-3-piperidino-1-propanol (78978-12-8)

Guidance literature:

With sodium tetrahydroborate; In methanol; for 7h; Heating;

Reference yield:

2,2-dimethyl-3-piperidin-1-yl-propionaldehyde (37591-27-8) + phenylmagnesium bromide → 1-Phenyl-2,2-dimethyl-3-piperidino-1-propanol (78978-12-8)

Guidance literature:

With diethyl ether; Anschliessendes Behandeln des Reaktionsgemisches mit wss. Ammoniumchlorid-Loesung;

DOI:10.1021/jo01373a002

Reference yield:

phenyl isopropyl ketone (611-70-1) → 1-Phenyl-2,2-dimethyl-3-piperidino-1-propanol (78978-12-8)

Guidance literature:

Multi-step reaction with 2 steps

1: dioxane; hydrochloric acid

2: nickel; ethanol / Hydrogenation

With 1,4-dioxane; hydrogenchloride; ethanol; nickel;

upstream raw materials:

2,2-dimethyl-3-piperidin-1-yl-propionaldehyde

α,α-dimethyl-β-piperidinopropiophenone

phenyl isopropyl ketone

Downstream raw materials:

1-Carbamoyloxy-1-phenyl-2,2-dimethyl-3-piperidinopropane

phenoxy-acetic acid-(2,2-dimethyl-1-phenyl-3-piperidino-propylester); hydrochloride

benzoic acid-(2,2-dimethyl-1-phenyl-3-piperidino-propylester); hydrochloride

3-phenoxy-propionic acid-(2,2-dimethyl-1-phenyl-3-piperidino-propylester); hydrochloride