(betaR)-6-Methoxy-beta-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1-imidazolidinyl]-3-pyridinepropanoic acid

Base Information

Chemical Name:(betaR)-6-Methoxy-beta-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1-imidazolidinyl]-3-pyridinepropanoic acid
CAS No.:227963-86-2
Molecular Formula:C₂₃H₂₉N₅O₄
Molecular Weight:439.514
Hs Code.:
DSSTox Substance ID:DTXSID901104836

Synonyms:SCHEMBL6070091;DTXSID901104836;(betaR)-6-Methoxy-beta-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1-imidazolidinyl]-3-pyridinepropanoic acid;227963-86-2

Suppliers and Price of (betaR)-6-Methoxy-beta-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1-imidazolidinyl]-3-pyridinepropanoic acid

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 0 raw suppliers

Chemical Property of (betaR)-6-Methoxy-beta-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1-imidazolidinyl]-3-pyridinepropanoic acid

Chemical Property:

XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:439.22195442
Heavy Atom Count:32
Complexity:650

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC1=NC=C(C=C1)C(CC(=O)O)N2CCN(C2=O)CCCC3=NC4=C(CCCN4)C=C3
Isomeric SMILES:COC1=NC=C(C=C1)[C@@H](CC(=O)O)N2CCN(C2=O)CCCC3=NC4=C(CCCN4)C=C3

Technology Process of (betaR)-6-Methoxy-beta-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1-imidazolidinyl]-3-pyridinepropanoic acid

There total 6 articles about (betaR)-6-Methoxy-beta-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1-imidazolidinyl]-3-pyridinepropanoic 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: 38.0%

: C₃₂H₄₅N₅O₆

: 227963-86-2
3(R)-(6-methoxypyridin-3-yl)-3-{2-oxo-3-[3-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-propyl]-imidazolidin-1-yl}-propionic acid

: 227963-15-7
(S)-3-(6-methoxypyridin-3-yl)-3-(2-oxo-3-(3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl)imidazolidin-1-yl)propanoic acid

Guidance literature:: With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 20h; Inert atmosphere;
DOI:10.1021/acs.joc.1c02375

Reference yield:

: 65873-72-5
6-methoxy-3-pyridinecarboxaldehyde

: 227963-86-2
3(R)-(6-methoxypyridin-3-yl)-3-{2-oxo-3-[3-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-propyl]-imidazolidin-1-yl}-propionic acid

: 227963-15-7
(S)-3-(6-methoxypyridin-3-yl)-3-(2-oxo-3-(3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl)imidazolidin-1-yl)propanoic acid

Guidance literature:: Multi-step reaction with 4 steps

1.1: sodium hydride / tetrahydrofuran; mineral oil / Inert atmosphere

2.1: potassium tert-butylate / acetonitrile / 0.08 h / Inert atmosphere

2.2: 74.5 h / 20 - 80 °C / Inert atmosphere

3.1: 9-bora-bicyclo[3.3.1]nonane / tetrahydrofuran / 1 h / 20 °C / Inert atmosphere

3.2: 1 h / 85 °C / Inert atmosphere

4.1: trifluoroacetic acid / dichloromethane / 20 h / 20 °C / Inert atmosphere

With potassium tert-butylate; sodium hydride; 9-bora-bicyclo[3.3.1]nonane; trifluoroacetic acid; In tetrahydrofuran; dichloromethane; acetonitrile; mineral oil;
DOI:10.1021/acs.joc.1c02375

Reference yield:

: 37732-87-9
1-allyl-2-imidazolidone

: 227963-86-2
3(R)-(6-methoxypyridin-3-yl)-3-{2-oxo-3-[3-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-propyl]-imidazolidin-1-yl}-propionic acid

: 227963-15-7
(S)-3-(6-methoxypyridin-3-yl)-3-(2-oxo-3-(3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl)imidazolidin-1-yl)propanoic acid

Guidance literature:: Multi-step reaction with 3 steps

1.1: potassium tert-butylate / acetonitrile / 0.08 h / Inert atmosphere

1.2: 74.5 h / 20 - 80 °C / Inert atmosphere

2.1: 9-bora-bicyclo[3.3.1]nonane / tetrahydrofuran / 1 h / 20 °C / Inert atmosphere

2.2: 1 h / 85 °C / Inert atmosphere

3.1: trifluoroacetic acid / dichloromethane / 20 h / 20 °C / Inert atmosphere

With potassium tert-butylate; 9-bora-bicyclo[3.3.1]nonane; trifluoroacetic acid; In tetrahydrofuran; dichloromethane; acetonitrile;
DOI:10.1021/acs.joc.1c02375