4-(Benzyloxy)phenyl 2-phenylethenesulfonate

Base Information

• Chemical Name: 4-(Benzyloxy)phenyl 2-phenylethenesulfonate
• CAS No.: 109880-31-1
• Molecular Formula: C₂₁H₁₈O₄S
• Molecular Weight: 366.438
• European Community (EC) Number: 651-690-0
• Wikidata: Q76313892
• ChEMBL ID: CHEMBL471828
• Mol file: 109880-31-1.mol

Synonyms:CHEMBL471828;4-(benzyloxy)phenyl 2-phenylethenesulfonate;SCHEMBL14492061;BDBM50276029;AKOS001591870;2-PHENYL-ETHENESULFONIC ACID 4-BENZYLOXY-PHENYL ESTER

Chemical Property of 4-(Benzyloxy)phenyl 2-phenylethenesulfonate

Chemical Property:

• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 366.09258022
• Heavy Atom Count: 26
• Complexity: 517

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)OS(=O)(=O)C=CC3=CC=CC=C3
• Isomeric SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)OS(=O)(=O)/C=C/C3=CC=CC=C3

Technology Process of 4-(Benzyloxy)phenyl 2-phenylethenesulfonate

There total 1 articles about 4-(Benzyloxy)phenyl 2-phenylethenesulfonate 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: 90.0%

4-Benzyloxyphenol (103-16-2) + β-styrenesulfonyl chloride (4091-26-3) → (E)-2-Phenyl-ethenesulfonic acid 4-benzyloxy-phenyl ester (109880-31-1)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane; water;

Reference yield:

(E)-2-Phenyl-ethenesulfonic acid 4-benzyloxy-phenyl ester (109880-31-1) → β-styrenesulfonyl chloride (4091-26-3)

Guidance literature:

With phosphorus pentachloride; Yield given. Multistep reaction; 1.) H₂O, dioxane;

Reference yield:

(E)-2-Phenyl-ethenesulfonic acid 4-benzyloxy-phenyl ester (109880-31-1) → (E)-2-Phenyl-ethenesulfonic acid 4-methoxy-phenyl ester (109880-30-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) K; 2.) PCl₅ / 1.) H₂O, dioxane

2: 76 percent / Et₃N / dioxane

With phosphorus pentachloride; triethylamine; In 1,4-dioxane;

upstream raw materials:

4-Benzyloxyphenol

β-styrenesulfonyl chloride

Downstream raw materials:

2-hydroxy-2-phenylethane-sulfonic acid

β-styrenesulfonyl chloride

styrene sulfonic acid

phenyl β-styrenesulfonate

Refernces