1-(Pyridin-3-yl)hexan-1-one

Base Information

Chemical Name:1-(Pyridin-3-yl)hexan-1-one
CAS No.:81418-03-3
Molecular Formula:C₁₁H₁₅NO
Molecular Weight:177.246
Hs Code.:2933399090
DSSTox Substance ID:DTXSID10508365
Nikkaji Number:J890.942C
Wikidata:Q82365219
Mol file:81418-03-3.mol

Synonyms:1-(Pyridin-3-yl)hexan-1-one;81418-03-3;1-pyridin-3-ylhexan-1-one;1-(3-pyridinyl)-1-hexanone;SCHEMBL552357;DTXSID10508365;AKOS011913674

Suppliers and Price of 1-(Pyridin-3-yl)hexan-1-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

Crysdot
1-(Pyridin-3-yl)hexan-1-one 95+%
5g
$ 392.00

Chemenu
1-(pyridin-3-yl)hexan-1-one 95%
5g
$ 371.00

American Custom Chemicals Corporation
1-(PYRIDIN-3-YL)HEXAN-1-ONE 95.00%
5MG
$ 497.46

Alichem
1-(Pyridin-3-yl)hexan-1-one
5g
$ 326.40

Total 5 raw suppliers

Chemical Property of 1-(Pyridin-3-yl)hexan-1-one

Chemical Property:

Boiling Point:286.5±13.0 °C(Predicted)
PKA:3.24±0.10(Predicted)
PSA：29.96000
Density:0.983±0.06 g/cm3(Predicted)
LogP:2.84460
Storage Temp.:2-8°C
XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:177.115364102
Heavy Atom Count:13
Complexity:156

Purity/Quality:

95+% ^*data from raw suppliers

1-(Pyridin-3-yl)hexan-1-one 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCC(=O)C1=CN=CC=C1

Technology Process of 1-(Pyridin-3-yl)hexan-1-one

There total 3 articles about 1-(Pyridin-3-yl)hexan-1-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: 76.0%

: 500-22-1
3-pyridinecarboxaldehyde

: 109-67-1
1-penten

: 81418-03-3
1-(pyridin-3-yl)hexan-1-one

Guidance literature:: With 3-methylpyridin-2-ylamine; Wilkinson's catalyst; zirconocene dichloride; at 100 ℃; for 40h;
DOI:10.1016/S0040-4039(97)01562-1

Reference yield: 31.0%

: 100-54-9,121697-66-3,1232169-17-3,68271-95-4
pyridine-3-carbonitrile

: 110-53-2
1-Bromopentane

: 81418-03-3
1-(pyridin-3-yl)hexan-1-one

Guidance literature:: 1-Bromopentane; With magnesium; In diethyl ether; Glovebox; Inert atmosphere;

pyridine-3-carbonitrile; In diethyl ether; at 0 - 40 ℃; for 16h; Glovebox; Inert atmosphere;
DOI:10.1021/acs.orglett.0c01745