Furo[3,4-B]pyridin-7(5H)-one

Base Information

• Chemical Name: Furo[3,4-B]pyridin-7(5H)-one
• CAS No.: 4733-69-1
• Molecular Formula: C7H5NO2
• Molecular Weight: 135.122
• European Community (EC) Number: 848-465-6
• DSSTox Substance ID: DTXSID30482491
• Nikkaji Number: J589.169H
• Wikidata: Q72444341
• Mol file: 4733-69-1.mol

Synonyms:FURO[3,4-B]PYRIDIN-7(5H)-ONE;4733-69-1;5h-furo[3,4-b]pyridin-7-one;7-azaphthalide;5H,7H-FURO[3,4-B]PYRIDIN-7-ONE;furo[3,4-b]pyridin-7-one;SCHEMBL1728678;DTXSID30482491;VIHJMAPRLIOYER-UHFFFAOYSA-N;furo[3,4-b]pyridine-7(5H)-one;furo [3,4-b]pyridine-7(5H)-one;AB66596;EN300-142159;Z1255428832

Chemical Property of Furo[3,4-B]pyridin-7(5H)-one

Chemical Property:

• Vapor Pressure: 0.000161mmHg at 25°C
• Melting Point: 164℃
• PSA: 39.19000
• LogP: 0.75200
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 135.032028402
• Heavy Atom Count: 10
• Complexity: 158

Purity/Quality:

98%,99%, ^*data from raw suppliers

furo[3,4-b]pyridin-7(5H)-one >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=C(C(=O)O1)N=CC=C2

Technology Process of Furo[3,4-B]pyridin-7(5H)-one

There total 5 articles about Furo[3,4-B]pyridin-7(5H)-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: 80.0%

2,3-bis(hydroxymethyl)pyridine (38070-79-0) → furo[3,4-b]pyridine-7(5H)-one (4733-69-1)

Guidance literature:

With 1-methyl-1H-imidazole; [2,2]bipyridinyl; tetrakis(acetonitrile)copper(I) trifluoromethanesulfonate; 9-azabicyclo<3.3.1>nonane-N-oxyl; In acetonitrile; at 22 ℃; for 2h;

DOI:10.1021/jacs.5b01036

Reference yield: 70.0%

C28H40N2O5Si → furo[3,4-b]pyridine-7(5H)-one (4733-69-1) + C15H21NO3

Guidance literature:

With hydrogenchloride; water; In methanol; at 80 ℃; for 4h;

DOI:10.1002/anie.201100984

Reference yield:

pyridine-2,3-dicarbaldehyde (4663-93-8) → furo[3,4-b]pyridine-7(5H)-one (4733-69-1) + 7H-furo[3,4-b]pyridin-5-one (5657-51-2)

Guidance literature:

(alkaline solution);

upstream raw materials:

Pyridine-2,3-dicarboxylic acid

acetic anhydride

pyridine-2,3-dicarbaldehyde

2,3-bis(hydroxymethyl)pyridine

Downstream raw materials:

(1-Benzenesulfonyl-1H-indol-2-yl)-(3-hydroxymethyl-pyridin-2-yl)-methanone

3-[(4-methoxyphenoxy)methyl]pyridine-2-carboxylic acid

3-(phenoxymethyl)pyridine-2-carboxylic acid

3-(3-Chloro-phenoxymethyl)-pyridine-2-carboxylic acid