2-[3-Oxo-3-(3-pyridyl)propyl]-1,3-dioxolane

Base Information

Chemical Name:2-[3-Oxo-3-(3-pyridyl)propyl]-1,3-dioxolane
CAS No.:109065-57-8
Molecular Formula:C₁₁H₁₃NO₃
Molecular Weight:207.229
Hs Code.:2932999099
DSSTox Substance ID:DTXSID10393117
Wikidata:Q82191754
Mol file:109065-57-8.mol

Synonyms:109065-57-8;2-[3-OXO-3-(3-PYRIDYL)PROPYL]-1,3-DIOXOLANE;3-(1,3-dioxolan-2-yl)-1-pyridin-3-ylpropan-1-one;1-Propanone,3-(1,3-dioxolan-2-yl)-1-(3-pyridinyl)-;3-(1,3-dioxolan-2-yl)-1-(pyridin-3-yl)propan-1-one;SCHEMBL20897370;DTXSID10393117;AKOS027446594;FT-0673398;J-002228

Suppliers and Price of 2-[3-Oxo-3-(3-pyridyl)propyl]-1,3-dioxolane

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
2-[3-Oxo-3-(3-pyridyl)propyl]-1,3-dioxolane
50mg
$ 450.00

TRC
2-[3-Oxo-3-(3-pyridyl)propyl]-1,3-dioxolane
10mg
$ 110.00

Medical Isotopes, Inc.
2-[3-Oxo-3-(3-pyridyl)propyl]-1,3-dioxolane
10 mg
$ 860.00

American Custom Chemicals Corporation
2-[3-OXO-3-(3-PYRIDYL)PROPYL]-1,3-DIOXOLANE 95.00%
100MG
$ 1593.90

American Custom Chemicals Corporation
2-[3-OXO-3-(3-PYRIDYL)PROPYL]-1,3-DIOXOLANE 95.00%
10MG
$ 704.55

Total 3 raw suppliers

Chemical Property of 2-[3-Oxo-3-(3-pyridyl)propyl]-1,3-dioxolane

Chemical Property:

PSA：48.42000
LogP:1.41740
Storage Temp.:-20?C Freezer
XLogP3:0.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:207.08954328
Heavy Atom Count:15
Complexity:214

Purity/Quality:

95% ^*data from raw suppliers

2-[3-Oxo-3-(3-pyridyl)propyl]-1,3-dioxolane ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1COC(O1)CCC(=O)C2=CN=CC=C2
Uses A precursor of 4-Oxo-4-(3-pyridyl) butanal, a metabolite of the tobacco-specific nitrosamine, NNK (Cat. #M32575). Compound requires removal of protecting group A precursor of 4-Oxo-4-(3-pyridyl) butanal, a metabolite of the tobacco-specific nitrosamine, NNK (Cat. #M32575). Compound requires removal of protecting group.

Technology Process of 2-[3-Oxo-3-(3-pyridyl)propyl]-1,3-dioxolane

There total 3 articles about 2-[3-Oxo-3-(3-pyridyl)propyl]-1,3-dioxolane 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: 52.0%

: 37610-80-3
1,3-dioxolan-2-ylethylmagnesium bromide

: 16518-17-5
potassium nicotinate

: 109065-57-8
3-(1,3-dioxolan-2-yl)-1-(pyridin-3-yl)propan-1-one

Guidance literature:: In tetrahydrofuran; for 20h; Ambient temperature;
DOI:10.1021/jo00391a066

Reference yield:

: 18742-02-4
2-bromo-2-(2-ethyl)dioxolane

: 95091-91-1
N-methoxy-N-methylpyridine-3-carboxamide

: 109065-57-8
3-(1,3-dioxolan-2-yl)-1-(pyridin-3-yl)propan-1-one

Guidance literature:: With magnesium; copper(I) bromide; Yield given. Multistep reaction; 1.) THF, 30 deg C, 30 min, 2.) THF, 20 deg C, 1 h;

Reference yield:

: 59-67-6
nicotinic acid

: 109065-57-8
3-(1,3-dioxolan-2-yl)-1-(pyridin-3-yl)propan-1-one

Guidance literature:: Multi-step reaction with 2 steps

1.1: 54 percent / DCC; Et₃N / CH₂Cl₂ / 0 - 20 °C

2.1: Mg / tetrahydrofuran / 1 h / 20 °C

2.2: Amberlite IRC-50 / tetrahydrofuran

With magnesium; triethylamine; dicyclohexyl-carbodiimide; In tetrahydrofuran; dichloromethane;
DOI:10.1039/b510506d