1-Phenyl-2-(1,3-dihydroisobenzofuran-1-ylidene)ethanone

Base Information

Chemical Name:1-Phenyl-2-(1,3-dihydroisobenzofuran-1-ylidene)ethanone
CAS No.:935521-30-5
Molecular Formula:C₁₆H₁₂O₂
Molecular Weight:236.27
Hs Code.:
DSSTox Substance ID:DTXSID401220178
Nikkaji Number:J2.438.372E
ChEMBL ID:CHEMBL2357803

Synonyms:MLS003675047;CHEMBL2357803;DTXSID401220178;SMR002355497;(2Z)-2-(1(3H)-Isobenzofuranylidene)-1-phenylethanone;1-Phenyl-2-(1,3-dihydroisobenzofuran-1-ylidene)ethanone;935521-30-5

Suppliers and Price of 1-Phenyl-2-(1,3-dihydroisobenzofuran-1-ylidene)ethanone

Supply Marketing:

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

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Chemical Property of 1-Phenyl-2-(1,3-dihydroisobenzofuran-1-ylidene)ethanone

Chemical Property:

XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:236.083729621
Heavy Atom Count:18
Complexity:339

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1C2=CC=CC=C2C(=CC(=O)C3=CC=CC=C3)O1
Isomeric SMILES:C1C2=CC=CC=C2/C(=C/C(=O)C3=CC=CC=C3)/O1

Technology Process of 1-Phenyl-2-(1,3-dihydroisobenzofuran-1-ylidene)ethanone

There total 3 articles about 1-Phenyl-2-(1,3-dihydroisobenzofuran-1-ylidene)ethanone 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%

: 5159-41-1
2-iodobenzyl alcohol

: 3623-15-2
phenyl propargyl ketone

: 1383707-83-2
(E)-2-[isobenzofuran-1(3H)-ylidene]-1-phenylethanone

: 935521-30-5
(Z)-2-[isobenzofuran-1(3H)-ylidene]-1-phenylethanone

Guidance literature:: 2-iodobenzyl alcohol; phenyl propargyl ketone; With triphenylphosphine; In acetonitrile; for 1h; Inert atmosphere; Reflux;

With tetrabutyl-ammonium chloride; palladium diacetate; sodium hydrogencarbonate; In acetonitrile; at 20 ℃; for 9h; optical yield given as %de; stereoselective reaction; Inert atmosphere; Reflux;
DOI:10.1021/ol301154f

Reference yield: 68.0%

: 591-50-4
iodobenzene

: 201230-82-2
carbon monoxide

: 10602-08-1
2-ethynylbenzyl alcohol

: 1383707-83-2
(E)-2-[isobenzofuran-1(3H)-ylidene]-1-phenylethanone

: 935521-30-5
(Z)-2-[isobenzofuran-1(3H)-ylidene]-1-phenylethanone

Guidance literature:: With bis-triphenylphosphine-palladium(II) chloride; triethylamine; at 100 ℃; for 24h; under 15001.5 Torr; stereoselective reaction; Autoclave; Schlenk technique;
DOI:10.1002/ejoc.201500539

Reference yield:

: 100-52-7
benzaldehyde

: 1383707-83-2
(E)-2-[isobenzofuran-1(3H)-ylidene]-1-phenylethanone

: 935521-30-5
(Z)-2-[isobenzofuran-1(3H)-ylidene]-1-phenylethanone

Guidance literature:: Multi-step reaction with 2 steps

1.1: Inert atmosphere

1.2: Inert atmosphere

2.1: triphenylphosphine / acetonitrile / 1 h / Inert atmosphere; Reflux

2.2: 9 h / 20 °C / Inert atmosphere; Reflux

With triphenylphosphine; In acetonitrile; 2.1: Michael condensation / 2.2: Heck reaction;
DOI:10.1021/ol301154f