Benzylidenephthalide

Base Information

Chemical Name:Benzylidenephthalide
CAS No.:4767-55-9
Molecular Formula:C15H10O2
Molecular Weight:222.243
Hs Code.:
European Community (EC) Number:209-388-8
UNII:C9E8S3AGYQ
Wikidata:Q27275358
ChEMBL ID:CHEMBL1562463
Mol file:4767-55-9.mol

Synonyms:benzylidenephthalide

Suppliers and Price of Benzylidenephthalide

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 2 raw suppliers

Chemical Property of Benzylidenephthalide

Chemical Property:

PSA：26.30000
LogP:3.35510
XLogP3:3.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:222.068079557
Heavy Atom Count:17
Complexity:326

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C=C2C3=CC=CC=C3C(=O)O2
Isomeric SMILES:C1=CC=C(C=C1)/C=C/2\C3=CC=CC=C3C(=O)O2

Technology Process of Benzylidenephthalide

There total 6 articles about Benzylidenephthalide 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: 66.3%

: 83-12-5
phenindione

: 4767-55-9
(E)-3-benzylidene-3H-isobenzofuran-1-one

: 4767-56-0
(Z)-3-benzylidenephthalide

Guidance literature:: In acetonitrile; for 3h; Irradiation; further solvents and wavelenghts;

Reference yield:

: (E)-3-tributylstannylmethylidenephthalide

: 591-50-4
iodobenzene

: 4767-55-9
(E)-3-benzylidene-3H-isobenzofuran-1-one

: 4767-56-0
(Z)-3-benzylidenephthalide

Guidance literature:: dichloro bis(acetonitrile) palladium(II); In N,N-dimethyl-formamide; at 25 ℃; for 3h; Title compound not separated from byproducts.;
DOI:10.1055/s-2007-965890

Reference yield:

: 60901-21-5,5079-90-3,66374-10-5
o-styrylbenzoic acid

: 4767-55-9
(E)-3-benzylidene-3H-isobenzofuran-1-one

Guidance literature:: Multi-step reaction with 2 steps

1: 92 percent / aq. NaHCO₃, I₂, aq. KI / 27 h / Ambient temperature

2: 12 percent / sodium acetate / ethanol / 9 h / Heating

With iodine; sodium acetate; sodium hydrogencarbonate; potassium iodide; In ethanol;