4-(4-Methoxyphenyl)-2H-pyran-2,6(3H)-dione

Base Information

• Chemical Name: 4-(4-Methoxyphenyl)-2H-pyran-2,6(3H)-dione
• CAS No.: 29199-18-6
• Molecular Formula: C12H10O4
• Molecular Weight: 218.209
• DSSTox Substance ID: DTXSID20498687
• Nikkaji Number: J282.239C
• Wikidata: Q82348898
• Mol file: 29199-18-6.mol

Synonyms:29199-18-6;4-(4-Methoxyphenyl)-2H-pyran-2,6(3H)-dione;DTXSID20498687

Chemical Property of 4-(4-Methoxyphenyl)-2H-pyran-2,6(3H)-dione

Chemical Property:

• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 218.05790880
• Heavy Atom Count: 16
• Complexity: 324

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2=CC(=O)OC(=O)C2

Technology Process of 4-(4-Methoxyphenyl)-2H-pyran-2,6(3H)-dione

There total 13 articles about 4-(4-Methoxyphenyl)-2H-pyran-2,6(3H)-dione 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: 95.0%

carbon dioxide (124-38-9,18923-20-1) + 3-p-methoxyphenyl-2-butenoic acid pentafluorophenyl ester → 3-(4-methoxyphenyl)pentenedioic anhydride (29199-18-6)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; at 25 ℃; for 24h; under 7500.75 Torr; Autoclave;

Reference yield: 95.0%

carbon dioxide (124-38-9,18923-20-1) + perfluorophenyl (E)-3-(4-methoxyphenyl)but-2-enoate → 3-(4-methoxyphenyl)pentenedioic anhydride (29199-18-6)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; at 20 ℃; for 18h; under 7500.75 Torr; Autoclave; Glovebox; Schlenk technique;

DOI:10.1021/acs.joc.0c01717

Reference yield: 90.0%

3-(4-methoxyphenyl)-2,3-ene-pentanedioic acid (66066-43-1) → 3-(4-methoxyphenyl)pentenedioic anhydride (29199-18-6)

Guidance literature:

In toluene; for 24h; Dean-Stark; Reflux;

DOI:10.1021/acs.joc.0c00836

upstream raw materials:

3-(4-methoxyphenyl)-2-pentenedioic acid

acetic anhydride

acetonedicarboxylic acid

methoxybenzene

Downstream raw materials:

(E)-3-(4-Methoxy-phenyl)-1-(4-m-tolyl-piperazin-1-yl)-but-2-en-1-one

4-[3-(4-methoxy-phenyl)-cis-crotonoylamino]-benzoic acid