Hexbutinol

Base Information

Chemical Name:Hexbutinol
CAS No.:117828-61-2
Molecular Formula:C₂₁H₂₉NO
Molecular Weight:311.467
Hs Code.:
DSSTox Substance ID:DTXSID80922554
Nikkaji Number:J391.671E
Mol file:117828-61-2.mol

Synonyms:1-(4-cyclohexyl-4-hydroxy-4-phenyl-2-butynyl)piperidine;hexbutinol;hexbutinol, (R)-isomer;hexbutinol, (S)-isomer

Suppliers and Price of Hexbutinol

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 1 raw suppliers

Chemical Property of Hexbutinol

Chemical Property:

Vapor Pressure:9.05E-10mmHg at 25°C
Boiling Point:473.5°Cat760mmHg
Flash Point:231.3°C
PSA：23.47000
Density:1.075g/cm³
LogP:3.88170
XLogP3:4.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:311.224914549
Heavy Atom Count:23
Complexity:416

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCC(CC1)C(C#CCN2CCCCC2)(C3=CC=CC=C3)O

Technology Process of Hexbutinol

There total 11 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%

: 110-89-4
piperidine

: 50-00-0,30525-89-4,61233-19-0
formaldehyd

: 834-41-3
1-cyclohexyl-1-hydroxy-1-phenyl-2-propyne

: 100274-02-0,117828-61-2
Hexbutinol

Guidance literature:: With copper(l) chloride;

Reference yield:

: 712-50-5
Cyclohexyl phenyl ketone

: 100274-02-0,117828-61-2
Hexbutinol

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;