3,3-Dimethylpiperidin-2-one

Base Information

Chemical Name:3,3-Dimethylpiperidin-2-one
CAS No.:23789-83-5
Molecular Formula:C7H13NO
Molecular Weight:127.18
Hs Code.:2933790090
DSSTox Substance ID:DTXSID40459699
Nikkaji Number:J740.397F
Wikidata:Q82283523
Mol file:23789-83-5.mol

Synonyms:3,3-dimethylpiperidin-2-one;23789-83-5;3,3-DIMETHYL-2-PIPERIDINONE;MFCD10000575;3,3-DIMETHYL-PIPERIDIN-2-ONE;2-Piperidinone, 3,3-dimethyl-;3,3-dimethylpiperidone;SCHEMBL479783;3, 3-dimethylpiperidin-2-one;DTXSID40459699;VCGTVWAYTIKLRQ-UHFFFAOYSA-N;YAA78983;AKOS006304269;SB42759;BS-37582;SY248157;CS-0183562;EN300-178571;P19113

Suppliers and Price of 3,3-Dimethylpiperidin-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
3,3-Dimethylpiperidin-2-one
50mg
$ 155.00

ChemBridge Corporation
3,3-dimethyl-2-piperidinone 95%
1 g
$ 545.00

American Custom Chemicals Corporation
3,3-DIMETHYL-2-PIPERIDINONE 95.00%
10G
$ 3122.84

American Custom Chemicals Corporation
3,3-DIMETHYL-2-PIPERIDINONE 95.00%
5G
$ 1976.78

American Custom Chemicals Corporation
3,3-DIMETHYL-2-PIPERIDINONE 95.00%
1G
$ 952.01

Total 9 raw suppliers

Chemical Property of 3,3-Dimethylpiperidin-2-one

Chemical Property:

Boiling Point:247.2±9.0 °C(Predicted)
PKA:16.68±0.40(Predicted)
PSA：29.10000
Density:0.925±0.06 g/cm3(Predicted)
LogP:1.25140
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:127.099714038
Heavy Atom Count:9
Complexity:129

Purity/Quality:

99%, ^*data from raw suppliers

3,3-Dimethylpiperidin-2-one ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(CCCNC1=O)C

Technology Process of 3,3-Dimethylpiperidin-2-one

There total 7 articles about 3,3-Dimethylpiperidin-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: 96.0%

: 3768-43-2,1229603-64-8
3-methyl-piperidin-2-one

: 74-88-4
methyl iodide

: 23789-83-5
3,3-Dimethyl-2(1H)-piperidinone

Guidance literature:: With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.25h;
DOI:10.1055/s-1994-25621

Reference yield: 90.0%

: tert-butyl 3,3-dimethyl-2-oxopiperidine-1-carboxylate

: 23789-83-5
3,3-Dimethyl-2(1H)-piperidinone

Guidance literature:: With hydrogenchloride; In 1,4-dioxane; water; at 20 ℃; for 2h; Inert atmosphere;

Reference yield: 78.0%

: 83756-21-2
1-(3-bromopropyl)-2,5-dimethyl-1H-pyrrole

: 97-62-1
Ethyl isobutyrate

: 23789-83-5
3,3-Dimethyl-2(1H)-piperidinone

Guidance literature:: Ethyl isobutyrate; With n-butyllithium; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; hexane; at -60 - -50 ℃; Inert atmosphere;

1-(3-bromopropyl)-2,5-dimethyl-1H-pyrrole; In tetrahydrofuran; hexane; at -50 - 20 ℃; for 2h;

With hydroxylamine hydrochloride; potassium hydroxide; In ethanol; water; Reflux; Inert atmosphere;
DOI:10.1007/s11172-019-2674-1