[(2S,3Z)-2-hydroxy-3-(5-oxofuran-2-ylidene)propyl] benzoate

Base Information Edit

Chemical Name:[(2S,3Z)-2-hydroxy-3-(5-oxofuran-2-ylidene)propyl] benzoate
CAS No.:135626-19-6
Molecular Formula:C14H12 O5
Molecular Weight:260.24208
Hs Code.:
DSSTox Substance ID:DTXSID101339164
Nikkaji Number:J783.400D
Wikidata:Q105310724
ChEMBL ID:CHEMBL4647824
Mol file:135626-19-6.mol

Synonyms:melodorinol

Suppliers and Price of [(2S,3Z)-2-hydroxy-3-(5-oxofuran-2-ylidene)propyl] benzoate

Supply Marketing:Edit

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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Total 1 raw suppliers

Chemical Property of [(2S,3Z)-2-hydroxy-3-(5-oxofuran-2-ylidene)propyl] benzoate Edit

Chemical Property:

Vapor Pressure:5.7E-11mmHg at 25°C
Boiling Point:503.8°Cat760mmHg
Flash Point:195.6°C
PSA：72.83000
Density:1.418g/cm³
LogP:1.20120
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:260.06847348
Heavy Atom Count:19
Complexity:404

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C(=O)OCC(C=C2C=CC(=O)O2)O
Isomeric SMILES:C1=CC=C(C=C1)C(=O)OC[C@H](/C=C\2/C=CC(=O)O2)O

Technology Process of [(2S,3Z)-2-hydroxy-3-(5-oxofuran-2-ylidene)propyl] benzoate

There total 15 articles about [(2S,3Z)-2-hydroxy-3-(5-oxofuran-2-ylidene)propyl] benzoate 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: 84.0%