3-(4-Methoxyphenyl)-1h-isochromen-1-one

Base Information

• Chemical Name: 3-(4-Methoxyphenyl)-1h-isochromen-1-one
• CAS No.: 29910-92-7
• Molecular Formula: C16H12O3
• Molecular Weight: 252.269
• NSC Number: 123012
• DSSTox Substance ID: DTXSID50952363
• Nikkaji Number: J1.216.000C
• Wikidata: Q82930930
• ChEMBL ID: CHEMBL1454061
• Mol file: 29910-92-7.mol

Synonyms:3-(4-methoxyphenyl)-1h-isochromen-1-one;3-(4-methoxyphenyl)isochromen-1-one;29910-92-7;3-(4-methoxyphenyl)isocoumarin;MLS001360841;SMR000743609;NSC123012;Oprea1_294258;cid_275900;ISUPSL100298;CHEMBL1454061;DTXSID50952363;LCTOHXUIVJEHSV-UHFFFAOYSA-N;BDBM114830;STK927756;AKOS001482995;CCG-103076;NSC-123012;NCGC00160252-01;NCGC00160252-02;3-(4-methoxyphenyl)-2-benzopyran-1-one;3-(4-Methoxyphenyl)-1H-2-benzopyran-1-one;1H-2-Benzopyran-1-one, 3-(4-methoxyphenyl)-;AB01330056-02;SR-01000388685;SR-01000388685-1;NCGC00160252-01!3-(4-methoxy-phenyl)-isochromen-1-one

Chemical Property of 3-(4-Methoxyphenyl)-1h-isochromen-1-one

Chemical Property:

• Vapor Pressure: 4.43E-07mmHg at 25°C
• Boiling Point: 414.5°Cat760mmHg
• Flash Point: 176°C
• Density: 1.24g/cm³
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 252.078644241
• Heavy Atom Count: 19
• Complexity: 366

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=O)O2

Technology Process of 3-(4-Methoxyphenyl)-1h-isochromen-1-one

There total 99 articles about 3-(4-Methoxyphenyl)-1h-isochromen-1-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: 100.0%

2-(2-(4-methoxyphenyl)ethynyl)benzoic acid methyl ester (130818-20-1) → 3-(4-methoxyphenyl)-1H-isochromen-1-one (29910-92-7)

Guidance literature:

With trimethylbenzylammonium methanesulfonate; toluene-4-sulfonic acid; at 90 ℃; for 1h; regioselective reaction; Microwave irradiation; Green chemistry;

DOI:10.1002/ejoc.201801884

Reference yield: 98.0%

2-((4-methoxyphenyl)ethynyl)benzoic acid (859829-95-1) → 3-(4-methoxyphenyl)-1H-isochromen-1-one (29910-92-7)

Guidance literature:

With toluene-4-sulfonic acid; In ethanol; at 160 ℃; for 0.5h; Microwave irradiation;

DOI:10.1055/s-2008-1072575

Reference yield: 96.0%

2-[2-(4-methoxyphenyl)ethenyl]benzoic acid (66374-13-8,93012-06-7,66374-12-7) → 3-(4-methoxyphenyl)-1H-isochromen-1-one (29910-92-7)

Guidance literature:

With diphenyl diselenide; bis-[(trifluoroacetoxy)iodo]benzene; In acetonitrile; at 20 ℃; for 16h; Inert atmosphere;

DOI:10.1002/ejoc.201000308

upstream raw materials:

2-[2-oxo-2-(4'-methoxyphenyl)ethyl]benzoic acid

methyl 2-(2-(4-methoxyphenyl)-2-oxoethyl) benzoate

sodium tert-pentoxide

toluene

Downstream raw materials:

8,3'-Deoxythunberginol A

2-[2-oxo-2-(4'-methoxyphenyl)ethyl]benzoic acid

3,4-dihydro-3-(4-methoxyphenyl)-1H-2-benzopyran-1-one

methyl 2-(2-(4-methoxyphenyl)-2-oxoethyl) benzoate