1-Heptyn-3-one, 7-hydroxy-1-phenyl-

Base Information

Chemical Name:1-Heptyn-3-one, 7-hydroxy-1-phenyl-
CAS No.:67654-84-6
Molecular Formula:C13H14O2
Molecular Weight:202.253
Hs Code.:
DSSTox Substance ID:DTXSID30463700
Wikidata:Q82288701

Synonyms:1-Heptyn-3-one, 7-hydroxy-1-phenyl-;67654-84-6;DTXSID30463700

Suppliers and Price of 1-Heptyn-3-one, 7-hydroxy-1-phenyl-

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 1-Heptyn-3-one, 7-hydroxy-1-phenyl-

Chemical Property:

XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:202.099379685
Heavy Atom Count:15
Complexity:250

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C#CC(=O)CCCCO

Technology Process of 1-Heptyn-3-one, 7-hydroxy-1-phenyl-

There total 3 articles about 1-Heptyn-3-one, 7-hydroxy-1-phenyl- 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: 99.0%

: 542-28-9,26354-94-9
3,4,5,6-tetrahydro-2H-pyran-2-one

: 536-74-3
phenylacetylene

: 67654-84-6
5-oxo-5-(2-phenylethynyl)-1-pentanol

Guidance literature:: phenylacetylene; With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 0.333333h;

With boron trifluoride diethyl etherate; In tetrahydrofuran; at -78 ℃; for 0.166667h;

3,4,5,6-tetrahydro-2H-pyran-2-one; In tetrahydrofuran; at -78 - 20 ℃; for 1h;

Reference yield: 82.0%

: 542-28-9,26354-94-9
3,4,5,6-tetrahydro-2H-pyran-2-one

: 4440-01-1
lithium phenylacetylide

: 67654-84-6
5-oxo-5-(2-phenylethynyl)-1-pentanol

Guidance literature:: In tetrahydrofuran; hexane; at -78 ℃; for 1h;
DOI:10.1002/prac.19933350503

Reference yield: 64.0%

: 335353-53-2
7-phenyl-hept-6-yn-1-ol

: 67654-84-6
5-oxo-5-(2-phenylethynyl)-1-pentanol

Guidance literature:: With tert.-butylhydroperoxide; C₄₈H₇₂O₁₂Rh₂; In ethyl acetate; at 40 ℃; for 24h; under 760.051 Torr; Sealed tube;
DOI:10.1016/j.jorganchem.2021.122078