3-(4-Methylphenyl)-1H-2-benzopyran-1-one

Base Information

Chemical Name:3-(4-Methylphenyl)-1H-2-benzopyran-1-one
CAS No.:62827-73-0
Molecular Formula:C16H12O2
Molecular Weight:236.27
Hs Code.:
ChEMBL ID:CHEMBL2299201
DSSTox Substance ID:DTXSID90555675
Nikkaji Number:J2.538.675B
Wikidata:Q82437078

Synonyms:62827-73-0;3-(p-Tolyl)-1H-isochromen-1-one;CHEMBL2299201;3-(4-methylphenyl)-1H-isochromen-1-one;3-(4-Methylphenyl)isocoumarin;3-(4-Methylphenyl)-1H-2-benzopyran-1-one;DTXSID90555675;BDBM50489050

Suppliers and Price of 3-(4-Methylphenyl)-1H-2-benzopyran-1-one

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 14 raw suppliers

Chemical Property of 3-(4-Methylphenyl)-1H-2-benzopyran-1-one

Chemical Property:

XLogP3:3.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:236.083729621
Heavy Atom Count:18
Complexity:350

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=O)O2
Use Description 1H-2-Benzopyran-1-one, 3-(4-methylphenyl)-, also known as 4-Methylcoumarin, is a chemical compound with various applications in different fields. In the field of perfumery and fragrance production, it is used as a key ingredient in the formulation of scents and fragrances, contributing to the creation of pleasant and distinctive aromas. Its role is pivotal in enhancing the olfactory appeal of perfumes, colognes, and other scented products. Additionally, in the pharmaceutical industry, 4-Methylcoumarin can be utilized as a starting material for the synthesis of pharmaceutical intermediates and compounds, potentially serving as a key component in the development of medications for various medical conditions. Furthermore, in academic and industrial research, it can be employed as a reference compound for the study of coumarins and their reactivity, aiding in the advancement of synthetic methodologies and chemical understanding. Its multifaceted utility underscores its significance in promoting olfactory experiences, drug development, and chemical research, where it plays a crucial role in fragrance creation, drug synthesis, and scientific investigation.

Technology Process of 3-(4-Methylphenyl)-1H-2-benzopyran-1-one

There total 59 articles about 3-(4-Methylphenyl)-1H-2-benzopyran-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: 95.0%

: 2-[(E)-2-(4-methylphenyl)ethenyl]carboxylic acid

: 62827-73-0
3-(4-methylphenyl)-1H-isochromen-1-one

Guidance literature:: With diphenyl diselenide; bis-[(trifluoroacetoxy)iodo]benzene; In acetonitrile; at 20 ℃; for 16h; Inert atmosphere;
DOI:10.1002/ejoc.201000308

Reference yield: 93.0%

: 118520-72-2
methyl 2-[(4-methylphenyl)ethynyl]benzoate

: 62827-73-0
3-(4-methylphenyl)-1H-isochromen-1-one

Guidance literature:: With trimethylbenzylammonium methanesulfonate; toluene-4-sulfonic acid; at 90 ℃; for 1h; Reagent/catalyst; Temperature; Time; regioselective reaction; Catalytic behavior; Microwave irradiation; Green chemistry;
DOI:10.1002/ejoc.201801884

Reference yield: 92.0%

: 189008-33-1
2-[2-(4-methylphenyl)ethynyl]benzaldehyde

: 62827-73-0
3-(4-methylphenyl)-1H-isochromen-1-one

Guidance literature:: With silver tetrafluoroborate; In N,N-dimethyl-formamide; at 80 ℃; regioselective reaction; Schlenk technique;
DOI:10.1039/d1ob01065d