Oxirane, (3-phenyl-2-propynyl)-

Base Information

• Chemical Name: Oxirane, (3-phenyl-2-propynyl)-
• CAS No.: 3305-63-3
• Molecular Formula: C11H10O
• Molecular Weight: 158.2
• DSSTox Substance ID: DTXSID70483427
• Nikkaji Number: J1.609.739J
• Mol file: 3305-63-3.mol

Synonyms:Oxirane, (3-phenyl-2-propynyl)-;3305-63-3;SCHEMBL17044032;DTXSID70483427

Chemical Property of Oxirane, (3-phenyl-2-propynyl)-

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 158.073164938
• Heavy Atom Count: 12
• Complexity: 202

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C(O1)CC#CC2=CC=CC=C2

Technology Process of Oxirane, (3-phenyl-2-propynyl)-

There total 5 articles about Oxirane, (3-phenyl-2-propynyl)- 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: 69.0%

1-phenyl-4-penten-1-yne (4289-20-7) → 2-(3-phenyl-2-propynyl)ethylene oxide (3305-63-3)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 0 ℃; for 16h;

DOI:10.1021/jo00125a039

Reference yield:

1-Phenyl-4-hydroxy-5-chlorpentin-(1) (3041-57-4) → 2-(3-phenyl-2-propynyl)ethylene oxide (3305-63-3)

Guidance literature:

With sodium hydroxide; In dichloromethane;

DOI:10.1021/jo034391m

Reference yield:

lithium phenylacetylide (4440-01-1) → 2-(3-phenyl-2-propynyl)ethylene oxide (3305-63-3)

Guidance literature:

Multi-step reaction with 2 steps

1: NaOH / CH₂Cl₂

With sodium hydroxide; In dichloromethane;

DOI:10.1021/jo034391m

upstream raw materials:

1-phenyl-4-penten-1-yne

1-Phenyl-4-hydroxy-5-chlorpentin-⁽¹⁾

lithium phenylacetylide

phenylacetylene

Downstream raw materials:

5-phenyl-2-penten-4-yn-1-ol

1,2-epithio-5-phenyl-4-pentyne

1-phenyl-trideca-1,6-diyn-4-ol

(E)-5-phenyl-penta-2-ene-4-yne-1-ol

Refernces

• 1、 Ren, Xiao-Feng,Konaklieva, Monika I.,Turos, Edward,Krajkowski, Lynn M.,Lake, Charles H.,et al.. "Regiochemical and Stereochemical Studies on Halogen-Induced Ring Expansions of Unsaturated Episulfides". . p. 6484 - 6495. Retrieved 2007/10/03.