1-Phenylnon-7-yne-1,3-dione

Base Information

Chemical Name:1-Phenylnon-7-yne-1,3-dione
CAS No.:141726-24-1
Molecular Formula:C15H16O2
Molecular Weight:228.291
Hs Code.:2914399090
DSSTox Substance ID:DTXSID60579924
Nikkaji Number:J2.272.706K
Wikidata:Q82470591
Mol file:141726-24-1.mol

Synonyms:1-Phenylnon-7-yne-1,3-dione;141726-24-1;DTXSID60579924

Suppliers and Price of 1-Phenylnon-7-yne-1,3-dione

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

American Custom Chemicals Corporation
1-PHENYLNON-7-YNE-1,3-DIONE 95.00%
5MG
$ 496.21

Total 4 raw suppliers

Chemical Property of 1-Phenylnon-7-yne-1,3-dione

Chemical Property:

Vapor Pressure:1.77E-05mmHg at 25°C
Boiling Point:363.7oC at 760 mmHg
Flash Point:136.5oC
PSA：34.14000
Density:1.052g/cm3
LogP:3.02210
XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:228.115029749
Heavy Atom Count:17
Complexity:323

Purity/Quality:

98%min ^*data from raw suppliers

1-PHENYLNON-7-YNE-1,3-DIONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC#CCCCC(=O)CC(=O)C1=CC=CC=C1

Technology Process of 1-Phenylnon-7-yne-1,3-dione

There total 4 articles about 1-Phenylnon-7-yne-1,3-dione 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: 85.0%

: 98-86-2
acetophenone

: 150765-78-9
2-methyl-3-oxocyclohex-1-en-1-yl trifluoromethanesulfonate

: 141726-24-1
1-Phenyl-7-nonyne-1,3-dione

Guidance literature:: acetophenone; With lithium hexamethyldisilazane; In tetrahydrofuran; at -78 ℃; for 0.5h;

2-methyl-3-oxocyclohex-1-en-1-yl trifluoromethanesulfonate; In tetrahydrofuran; at -78 - 60 ℃; for 1.33333h;
DOI:10.1021/ja0608085

Reference yield: 45.0%

: 17537-31-4
Acetophenone-methyl-d3

: 150765-78-9
2-methyl-3-oxocyclohex-1-en-1-yl trifluoromethanesulfonate

: 141726-24-1
1-Phenyl-7-nonyne-1,3-dione

Guidance literature:: Acetophenone-methyl-d3; With lithium hexamethyldisilazane; In tetrahydrofuran; at -78 ℃; for 0.5h;

2-methyl-3-oxocyclohex-1-en-1-yl trifluoromethanesulfonate; In tetrahydrofuran; at -78 - 60 ℃; for 1.33333h;
DOI:10.1021/ol0527781

Reference yield:

: 1193-55-1
2-methylcyclohexane-1,3-dione

: 141726-24-1
1-Phenyl-7-nonyne-1,3-dione

Guidance literature:: Multi-step reaction with 2 steps

1.1: 100 percent / pyridine / CH₂Cl₂ / -78 - 0 °C

2.1: LiHMDS / tetrahydrofuran / 0.5 h / -78 °C

2.2: 85 percent / tetrahydrofuran / 1.33 h / -78 - 60 °C

With pyridine; lithium hexamethyldisilazane; In tetrahydrofuran; dichloromethane; 2.2: Claisen condensation;
DOI:10.1021/ja0608085