1(3H)-Isobenzofuranone, 3-[(4-methylphenyl)methylene]-

Base Information

Chemical Name:1(3H)-Isobenzofuranone, 3-[(4-methylphenyl)methylene]-
CAS No.:27695-13-2
Molecular Formula:C16H12O2
Molecular Weight:236.27
Hs Code.:
DSSTox Substance ID:DTXSID70385790
Mol file:27695-13-2.mol

Synonyms:27695-13-2;1(3H)-Isobenzofuranone, 3-[(4-methylphenyl)methylene]-;SCHEMBL11268973;DTXSID70385790;3-(4-methylbenzyliden)-3h-isobenzofuran-1-one

Suppliers and Price of 1(3H)-Isobenzofuranone, 3-[(4-methylphenyl)methylene]-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 1(3H)-Isobenzofuranone, 3-[(4-methylphenyl)methylene]-

Chemical Property:

XLogP3:3.8
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:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)C=C2C3=CC=CC=C3C(=O)O2

Technology Process of 1(3H)-Isobenzofuranone, 3-[(4-methylphenyl)methylene]-

There total 7 articles about 1(3H)-Isobenzofuranone, 3-[(4-methylphenyl)methylene]- 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: 68.0%

: 766-97-2
4-n-methylphenylacetylene

: 88-65-3
2-bromobenzoic-acid

: 27695-13-2
3-(4-methylbenzyliden)-3H-isobenzofuran-1-one

Guidance literature:: With copper(l) iodide; triethylamine; In N,N-dimethyl-formamide; at 80 ℃; for 3h; Inert atmosphere;
DOI:10.1039/c4ra07639g

Reference yield:

: 120870-46-4
2-[(4-methylphenyl)ethynyl]benzoic acid

: 27695-13-2
3-(4-methylbenzyliden)-3H-isobenzofuran-1-one

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

Guidance literature:: With rhenium(I) pentacarbonyl chloride; In hexane; at 80 ℃; for 10h; Overall yield = 99 %; Inert atmosphere;
DOI:10.3987/COM-15-13311

Reference yield:

: 610-97-9
o-iodo-methyl-benzoic acid

: 27695-13-2
3-(4-methylbenzyliden)-3H-isobenzofuran-1-one

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

Guidance literature:: Multi-step reaction with 3 steps

2: water

3: rhenium(I) pentacarbonyl chloride / hexane / 10 h / 80 °C / Inert atmosphere

With rhenium(I) pentacarbonyl chloride; water; In hexane; 1: |Sonogashira Cross-Coupling;
DOI:10.3987/COM-15-13311