HEXBUTINOL

Base Information

• Chemical Name: HEXBUTINOL
• CAS No.: 100274-02-0
• Molecular Formula: C₂₁H₂₉NO
• Molecular Weight: 311.467
• Mol file: 100274-02-0.mol

Synonyms:Benzenemethanol,a-cyclohexyl-a-[3-(1-piperidinyl)-1-propynyl]-(9CI); Cyclohexanemethanol, a-phenyl-a-(3-piperidino-1-propynyl)-(6CI,7CI); Hexbutinol

Chemical Property of HEXBUTINOL

Chemical Property:

• PSA: 23.47000
• LogP: 3.88170

Purity/Quality:

99% ，98% ^*data from raw suppliers

HEXBUTINOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of HEXBUTINOL

There total 5 articles about HEXBUTINOL 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: 70.0%

piperidine (110-89-4) + formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1-cyclohexyl-1-hydroxy-1-phenyl-2-propyne (834-41-3) → Hexbutinol (100274-02-0,117828-61-2)

Guidance literature:

With copper(l) chloride;

Reference yield:

Cyclohexyl phenyl ketone (712-50-5) → Hexbutinol (100274-02-0,117828-61-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 81 percent / tetrahydrofuran

2: 70 percent / CuCl

With copper(l) chloride; In tetrahydrofuran; 1: Grignard reaction / 2: Mannich reaction;

Reference yield:

1-(prop-2-yn-1-yl)piperidine (5799-75-7) → Hexbutinol (100274-02-0,117828-61-2)

Guidance literature:

With tetrahydrofuran; potassium hydroxide; sodium methylate; Anschliessend mit Cyclohexyl-phenyl-keton behandeln.;

upstream raw materials:

1-(prop-2-yn-1-yl)piperidine

Cyclohexyl phenyl ketone

piperidine

formaldehyd

Downstream raw materials:

Hexahydrodifenidol

(R)-Hexahydrodifenidol hydrochloride

(S)-Hexahydrodifenidol hydrochloride

<1-<(S)-1-Cyclohexyl-1-hydroxy-1-phenyl-butyl>piperidinium>-(R)-mandelat

Refernces

• 1、 Tacke, Reinhold,Strohmann, Carsten,Sarge, Stefan,Cammenga, Heiko K.,Schomburg, Dietmar,et al.. "Preparation and Properties of the Enantiomers of the Selective Antimuscarinic Agent 1-Cyclohexyl-1-phenyl-4-piperidino-1-butanol (Hexahydro-Difenidol)". . p. 137 - 144. Retrieved 2007/10/02.