Butylidenephthalide

Base Information

Chemical Name:Butylidenephthalide
CAS No.:76681-73-7
Molecular Formula:C12H12O2
Molecular Weight:188.226
Hs Code.:
European Community (EC) Number:208-991-3
UNII:2JL3MHX6ZE
DSSTox Substance ID:DTXSID9060281
Wikidata:Q27890207
Metabolomics Workbench ID:45243
ChEMBL ID:CHEMBL1765390

Synonyms:3-butylidene-1(3H)-isobenzofuranone;3-butylidenephthalide;butylidenephthalide;n-butylidenephthalide

Suppliers and Price of Butylidenephthalide

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 0 raw suppliers

Chemical Property of Butylidenephthalide

Chemical Property:

XLogP3:3.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:188.083729621
Heavy Atom Count:14
Complexity:255

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCC=C1C2=CC=CC=C2C(=O)O1
Isomeric SMILES:CCC/C=C/1\C2=CC=CC=C2C(=O)O1

Technology Process of Butylidenephthalide

There total 1 articles about Butylidenephthalide 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:

: 61260-15-9
dimethyl (3-oxo-1,3-dihydroisobenzofuran-1-yl)phosphonate

: 123-72-8
butyraldehyde

: 76681-73-7
(E)-3-butylidene-3H-isobenzofuran-1-one

: 72917-31-8
(Z)-3-(1-butylidene)phthalide

Guidance literature:: With potassium tert-butylate; Yield given. Multistep reaction. Yields of byproduct given; 1.) THF, 30 min, 2.) room temp., 30 min;
DOI:10.1055/s-1985-31097