PINOSYLVIN MONO METHYL ETHER

Base Information

• Chemical Name: PINOSYLVIN MONO METHYL ETHER
• CAS No.: 35302-70-6
• Molecular Formula: C15H14O2
• Molecular Weight: 226.275
• European Community (EC) Number: 694-600-5
• ChEMBL ID: CHEMBL186366
• DSSTox Substance ID: DTXSID201310494
• Metabolomics Workbench ID: 27954
• Nikkaji Number: J1.110.880F,J460.631K
• NSC Number: 43312
• Wikidata: Q27108009
• Mol file: 35302-70-6.mol

Synonyms:Phenol,3-methoxy-5-(2-phenylethenyl)-, (E)-;(E)-3-Hydroxy-5-methoxystilbene;Pinosylvin 3-(methyl ether);Pinosylvin monomethyl ether;Pinosylvin, methylether;Phenol,3-methoxy-5-[(1E)-2-phenylethenyl]-;3-Methoxy-5-[(E)-2-phenylethenyl]phenol;3-Methoxy-5-((E)-styryl)-phenol;

Chemical Property of PINOSYLVIN MONO METHYL ETHER

Chemical Property:

• Vapor Pressure: 3.63E-07mmHg at 25°C
• Refractive Index: 1.662
• Boiling Point: 405.8 °C at 760 mmHg
• Flash Point: 245.6 °C
• PSA: 29.46000
• Density: 1.159 g/cm³
• LogP: 3.57120
• Storage Temp.: Refrigerator
• Solubility.: Benzene (Slightly), DMSO (Slightly), Methanol (Slightly), Pyridine (Slightly)
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 226.099379685
• Heavy Atom Count: 17
• Complexity: 243

Purity/Quality:

≥98% ^*data from raw suppliers

(E)-3-Methoxy-5-styrylphenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,N
• Hazard Codes: Xn,N
• Statements: 22-36-51/53
• Safety Statements: 26-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1)O)C=CC2=CC=CC=C2
• Isomeric SMILES: COC1=CC(=CC(=C1)O)/C=C/C2=CC=CC=C2

Technology Process of PINOSYLVIN MONO METHYL ETHER

There total 11 articles about PINOSYLVIN MONO METHYL ETHER 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: 75.0%

(E)-3,5-dimethoxystilbene (21956-56-9) → 3-methoxy-5-[(E)-2-phenylvinyl]phenol (35302-70-6)

Guidance literature:

With boron tribromide; In dichloromethane; at -78 ℃; for 12h;

DOI:10.1016/j.bmcl.2008.09.085

Reference yield: 43.0%

(E)-3,5-dimethoxystilbene (21956-56-9) → pinosylvin (22139-77-1) + 3-methoxy-5-[(E)-2-phenylvinyl]phenol (35302-70-6)

Guidance literature:

With boron tribromide; In dichloromethane; at 0 - 20 ℃;

DOI:10.1248/cpb.40.1130

Reference yield:

C31H32O2Si → 3-methoxy-5-[(E)-2-phenylvinyl]phenol (35302-70-6)

Guidance literature:

With 1H-imidazole; tetrabutyl ammonium fluoride; In tetrahydrofuran; hexane; at 20 ℃; for 1.5h;

DOI:10.1016/j.tetlet.2007.08.047

upstream raw materials:

(E)-3,5-dimethoxystilbene

3,5-dimethoxybenzaldehdye

O,O-diethyl benzylphosphonate

benzyl bromide

Downstream raw materials:

pinosylvin

(E)-3,5-dimethoxystilbene

dihydropinosylvin monomethyl ether

3-methoxy-4-(3-methylbut-2-enyl)-5-[(E)-2-phenylethylene]phenol