Cyclohexanone, 4-(3-pyridinyl)-

Base Information

Chemical Name:Cyclohexanone, 4-(3-pyridinyl)-
CAS No.:103319-09-1
Molecular Formula:C11H13NO
Molecular Weight:175.23
Hs Code.:
DSSTox Substance ID:DTXSID60601850
Wikidata:Q82498694
Mol file:103319-09-1.mol

Synonyms:103319-09-1;4-(pyridin-3-yl)cyclohexanone;4-(Pyridin-3-yl)cyclohexan-1-one;Cyclohexanone, 4-(3-pyridinyl)-;4-pyridin-3-ylcyclohexan-1-one;4-(3-pyridyl)cyclohexanone;4-(3-pyridyl)-cyclohexanone;SCHEMBL746253;DTXSID60601850;NFQXGFVVBYVBGR-UHFFFAOYSA-N;AKOS017515621;DB-294868;C91031

Suppliers and Price of Cyclohexanone, 4-(3-pyridinyl)-

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 3 raw suppliers

Chemical Property of Cyclohexanone, 4-(3-pyridinyl)-

Chemical Property:

XLogP3:1.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:175.099714038
Heavy Atom Count:13
Complexity:181

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC(=O)CCC1C2=CN=CC=C2

Technology Process of Cyclohexanone, 4-(3-pyridinyl)-

There total 11 articles about Cyclohexanone, 4-(3-pyridinyl)- 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: 84.0%

: 117960-47-1
4-(3-pyridyl)cyclohexanone ethylene acetal

: 103319-09-1
4-(pyridin-3-yl)cyclohexan-1-one

Guidance literature:: 4-(3-pyridyl)cyclohexanone ethylene acetal; With water; trifluoroacetic acid; at 20 ℃; Cooling;

With sodium hydrogencarbonate; sodium hydroxide; In water; pH=8;

Reference yield: 35.0%

: 16219-90-2
3-cyclohexylpyridine

: 3-(pyridin-3-yl)cyclohexan-1-one

: 103319-09-1
4-(pyridin-3-yl)cyclohexan-1-one

Guidance literature:: 3-cyclohexylpyridine; With tetrafluoroboric acid; In dichloromethane; acetonitrile; at 0 - 20 ℃; for 1.5h;

With dihydrogen peroxide; acetic acid; In water; acetonitrile;
DOI:10.1021/jacs.5b10299

Reference yield:

: 626-55-1,163928-56-1
3-Bromopyridine

: 103319-09-1
4-(pyridin-3-yl)cyclohexan-1-one

Guidance literature:: Multi-step reaction with 4 steps

1: 1) n-BuLi / 1) ether, hexane, -78 deg C, 2) THF, a) -78 deg c, 1 h, b) -78 deg C to -20 deg C, 1 h

2: thionyl chloride, pyridine / 2 h / 0 °C

3: H₂ / 10percent Pd/C / ethyl acetate / 3 h / 760 Torr / Ambient temperature

4: CF₃COOH / H₂O / 1.5 h / Ambient temperature

With pyridine; n-butyllithium; thionyl chloride; hydrogen; trifluoroacetic acid; palladium on activated charcoal; In water; ethyl acetate;
DOI:10.1021/jm00122a012