1-Phenyl-4-hexyn-3-one

Base Information

Chemical Name:1-Phenyl-4-hexyn-3-one
CAS No.:122124-41-8
Molecular Formula:C12H12 O
Molecular Weight:172.227
Hs Code.:
DSSTox Substance ID:DTXSID40448740
Nikkaji Number:J1.762.985I
Mol file:122124-41-8.mol

Synonyms:1-PHENYL-4-HEXYN-3-ONE;1-phenylhex-4-yn-3-one;122124-41-8;4-Hexyn-3-one, 1-phenyl-;starbld0015692;1-Phenyl-4-hexyne-3-one;DTXSID40448740;AKOS025294193;FT-0673781

Suppliers and Price of 1-Phenyl-4-hexyn-3-one

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

Usbiological
1-Phenyl-4-hexyn-3-one
25mg
$ 403.00

TRC
1-Phenyl-4-hexyn-3-one
100mg
$ 215.00

TRC
1-Phenyl-4-hexyn-3-one
50mg
$ 115.00

TRC
1-Phenyl-4-hexyn-3-one
500mg
$ 925.00

Medical Isotopes, Inc.
1-Phenyl-4-hexyn-3-one
50 mg
$ 860.00

Medical Isotopes, Inc.
1-Phenyl-4-hexyn-3-one
250 mg
$ 1880.00

American Custom Chemicals Corporation
1-PHENYL-4-HEXYN-3-ONE 95.00%
500MG
$ 1593.90

American Custom Chemicals Corporation
1-PHENYL-4-HEXYN-3-ONE 95.00%
50MG
$ 704.55

Total 3 raw suppliers

Chemical Property of 1-Phenyl-4-hexyn-3-one

Chemical Property:

PSA：17.07000
LogP:2.21160
Solubility.:Dichloromethane, Diethyl Ether, Ethyl Acetate
XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:172.088815002
Heavy Atom Count:13
Complexity:222

Purity/Quality:

99% ^*data from raw suppliers

1-Phenyl-4-hexyn-3-one ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC#CC(=O)CCC1=CC=CC=C1
Uses 1-Phenyl-4-hexyn-3-one (cas# 122124-41-8) is a compound useful in organic synthesis.

Technology Process of 1-Phenyl-4-hexyn-3-one

There total 7 articles about 1-Phenyl-4-hexyn-3-one 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: 74.0%

: 184577-40-0
(+/-)-1-phenylhex-4-yn-3-ol

: 122124-41-8
1-phenylhex-4-yn-3-one

Guidance literature:: With Celite; pyridinium chlorochromate; In dichloromethane; at 20 ℃; Cooling with ice;
DOI:10.1021/jo901728b

Reference yield:

: 104-53-0
3-phenyl-propionaldehyde

: 122124-41-8
1-phenylhex-4-yn-3-one

Guidance literature:: Multi-step reaction with 6 steps

1.1: n-butyllithium / tetrahydrofuran; hexane / 0.5 h / -78 °C

1.2: -78 - 0 °C

2.1: potassium carbonate; methanol

3.1: dmap; triethylamine / dichloromethane / 0 °C

4.1: n-butyllithium / tetrahydrofuran; hexane / 0.5 h / -78 - 20 °C

4.2: 0 - 20 °C

5.1: tetrabutyl ammonium fluoride / tetrahydrofuran / Cooling

6.1: Jones reagent / acetone / 20 °C

With methanol; dmap; Jones reagent; n-butyllithium; tetrabutyl ammonium fluoride; potassium carbonate; triethylamine; In tetrahydrofuran; hexane; dichloromethane; acetone;
DOI:10.1021/jacs.6b12142

Reference yield:

: 78-75-1
1,2-Dibromopropane

: 170646-96-5
N-methoxy-N-methyl-3-phenylpropionamide

: 122124-41-8
1-phenylhex-4-yn-3-one

Guidance literature:: 1,2-Dibromopropane; With lithium diisopropyl amide; In tetrahydrofuran; hexane; at -78 - 0 ℃;

N-methoxy-N-methyl-3-phenylpropionamide; In tetrahydrofuran; hexane; at -78 - 20 ℃;

With hydrogenchloride; In tetrahydrofuran; hexane; water; at 0 ℃;
DOI:10.1021/ja1035286