3-Methyl-1-(pyridin-3-yl)butan-2-one

Base Information

Chemical Name:3-Methyl-1-(pyridin-3-yl)butan-2-one
CAS No.:53872-97-2
Molecular Formula:C10H13NO
Molecular Weight:163.21600
Hs Code.:
DSSTox Substance ID:DTXSID60514673
Wikidata:Q82375145
Mol file:53872-97-2.mol

Synonyms:3-Methyl-1-(pyridin-3-yl)butan-2-one;53872-97-2;3-methyl-1-pyridin-3-ylbutan-2-one;SCHEMBL888708;DTXSID60514673;AKOS011842962;CS-0238211;EN300-191417

Suppliers and Price of 3-Methyl-1-(pyridin-3-yl)butan-2-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

TRC
3-methyl-1-(pyridin-3-yl)butan-2-one
50mg
$ 200.00

Chemenu
3-methyl-1-(pyridin-3-yl)butan-2-one 95%+
10g
$ 2285.00

Chemenu
3-methyl-1-(pyridin-3-yl)butan-2-one 95%+
5g
$ 1541.00

Chemenu
3-methyl-1-(pyridin-3-yl)butan-2-one 95%+
1g
$ 515.00

Total 2 raw suppliers

Chemical Property of 3-Methyl-1-(pyridin-3-yl)butan-2-one

Chemical Property:

PSA：29.96000
LogP:1.84920
XLogP3:1.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:163.099714038
Heavy Atom Count:12
Complexity:154

Purity/Quality:

97% ^*data from raw suppliers

3-methyl-1-(pyridin-3-yl)butan-2-one ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)C(=O)CC1=CN=CC=C1

Technology Process of 3-Methyl-1-(pyridin-3-yl)butan-2-one

There total 3 articles about 3-Methyl-1-(pyridin-3-yl)butan-2-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: 63.2%

: 1120-90-7
3-iodopyridine

: 563-80-4
3-methyl-butan-2-one

: 53872-97-2
3-methyl-1-(pyridin-3-yl)butan-2-one

Guidance literature:: 3-methyl-butan-2-one; With (2-dicyclohexylphosphino-2′,4′,6′-triisopropyl-1,1′-biphenyl)[2-(2′-N-methylamino-1,1′-biphenyl)]palladium(II) methanesulfonate; sodium t-butanolate; In toluene; at 20 ℃; for 0.166667h; Microwave irradiation;

3-iodopyridine; In toluene; at 130 ℃; for 0.166667h; Sealed tube; Microwave irradiation;
DOI:10.1021/acs.joc.9b00446

Reference yield:

: 78-82-0
Isobutyronitrile

: 108-99-6
3-Methylpyridine

: 53872-97-2
3-methyl-1-(pyridin-3-yl)butan-2-one

: 27257-18-7
2-Isopropyl<1H>-pyrrolo<2,3-b>pyridine

Guidance literature:: With lithium diisopropyl amide; Yield given. Multistep reaction. Yields of byproduct given; 1.) THF, 30 min, 0 deg C, 2.a) THF, 0 deg C, b) 3.5 h, 60 deg C;
DOI:10.1016/S0040-4020(01)88196-5