3-{[6-(azetidin-1-ylcarbonyl)pyridin-3-yl]oxy}-5-[(3S)-tetrahydrofuran-3-yloxy]benzoic acid

Base Information

Chemical Name:3-{[6-(azetidin-1-ylcarbonyl)pyridin-3-yl]oxy}-5-[(3S)-tetrahydrofuran-3-yloxy]benzoic acid
CAS No.:915948-99-1
Molecular Formula:C20H20N2O6
Molecular Weight:384.389
Hs Code.:
DSSTox Substance ID:DTXSID501120460

Synonyms:SCHEMBL1426948;JNCBUNOZBBSRSB-HNNXBMFYSA-N;DTXSID501120460;3-{[6-(azetidin-1-ylcarbonyl)pyridin-3-yl]oxy}-5-[(3S)-tetrahydrofuran-3-yloxy]benzoic acid;3-[[6-(1-Azetidinylcarbonyl)-3-pyridinyl]oxy]-5-[[(3S)-tetrahydro-3-furanyl]oxy]benzoic acid;915948-99-1

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 3-{[6-(azetidin-1-ylcarbonyl)pyridin-3-yl]oxy}-5-[(3S)-tetrahydrofuran-3-yloxy]benzoic acid

Chemical Property:

XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:384.13213636
Heavy Atom Count:28
Complexity:569

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CN(C1)C(=O)C2=NC=C(C=C2)OC3=CC(=CC(=C3)C(=O)O)OC4CCOC4
Isomeric SMILES:C1CN(C1)C(=O)C2=NC=C(C=C2)OC3=CC(=CC(=C3)C(=O)O)O[C@H]4CCOC4

Technology Process of 3-{[6-(azetidin-1-ylcarbonyl)pyridin-3-yl]oxy}-5-[(3S)-tetrahydrofuran-3-yloxy]benzoic acid

There total 4 articles about 3-{[6-(azetidin-1-ylcarbonyl)pyridin-3-yl]oxy}-5-[(3S)-tetrahydrofuran-3-yloxy]benzoic acid 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: 41.0%

: 845306-16-3
azetidin-1-yl(5-bromopyridin-2-yl)methanone

: 915771-44-7
methyl 3-hydroxy-5-[(3S)-tetrahydrofuran-3-yloxy]benzoate

: 915948-99-1
3-{[6-(azetidin-1-ylcarbonyl)pyridin-3-yl]oxy}-5-[(3S)-tetrahydrofuran-3-yloxy]benzoic acid

Guidance literature:: With caesium carbonate; copper(l) iodide; In 1-methyl-pyrrolidin-2-one; 2,2,6,6-tetramethylheptane-3,5-dione; at 160 ℃; for 8h; Microwave irradiation;

Reference yield:

: 915771-22-1
methyl 3-[(phenylmethyl)oxy]-5-[(3S)-tetrahydrofuran-3-yloxy]benzoate

: 915948-99-1
3-{[6-(azetidin-1-ylcarbonyl)pyridin-3-yl]oxy}-5-[(3S)-tetrahydrofuran-3-yloxy]benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: hydrogen / palladium 10% on activated carbon / tetrahydrofuran; ethanol / 20 °C

2: caesium carbonate / copper(l) iodide / 1-methyl-pyrrolidin-2-one; 2,2,6,6-tetramethylheptane-3,5-dione / 8 h / 160 °C / Microwave irradiation

With hydrogen; caesium carbonate; copper(l) iodide; palladium 10% on activated carbon; In tetrahydrofuran; 1-methyl-pyrrolidin-2-one; 2,2,6,6-tetramethylheptane-3,5-dione; ethanol;

Reference yield:

: 2150-44-9
1-carbomethoxy-3,5-dihydroxybenzene

: 915948-99-1
3-{[6-(azetidin-1-ylcarbonyl)pyridin-3-yl]oxy}-5-[(3S)-tetrahydrofuran-3-yloxy]benzoic acid

Guidance literature:: Multi-step reaction with 4 steps

1: potassium carbonate / N,N-dimethyl-formamide / 20 °C

2: potassium carbonate / propyl cyanide / 3 h / 130 °C

3: hydrogen / palladium 10% on activated carbon / tetrahydrofuran; ethanol / 20 °C

4: caesium carbonate / copper(l) iodide / 1-methyl-pyrrolidin-2-one; 2,2,6,6-tetramethylheptane-3,5-dione / 8 h / 160 °C / Microwave irradiation

With hydrogen; potassium carbonate; caesium carbonate; copper(l) iodide; palladium 10% on activated carbon; In tetrahydrofuran; 1-methyl-pyrrolidin-2-one; propyl cyanide; 2,2,6,6-tetramethylheptane-3,5-dione; ethanol; N,N-dimethyl-formamide;