3-(2-Phenoxyphenyl)-2-propyn-1-ol

Base Information

• Chemical Name: 3-(2-Phenoxyphenyl)-2-propyn-1-ol
• CAS No.: 1028267-14-2
• Molecular Formula: C₁₅H₁₂O₂
• Molecular Weight: 224.259
• DSSTox Substance ID: DTXSID301299900
• Mol file: 1028267-14-2.mol

Synonyms:3-(2-Phenoxyphenyl)-2-propyn-1-ol;DTXSID301299900;1028267-14-2

Chemical Property of 3-(2-Phenoxyphenyl)-2-propyn-1-ol

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 224.083729621
• Heavy Atom Count: 17
• Complexity: 280

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OC2=CC=CC=C2C#CCO

Technology Process of 3-(2-Phenoxyphenyl)-2-propyn-1-ol

There total 2 articles about 3-(2-Phenoxyphenyl)-2-propyn-1-ol 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:

2-phenoxyaniline (2688-84-8) → 3-(2-phenoxy-phenyl)-prop-2-yn-1-ol (1028267-14-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: NaNO₂; HCl / H₂O / 0.67 h / 0 °C

1.2: 67 percent / KI / H₂O / 0.58 h / 20 - 80 °C

2.1: iPr₂NH / Pd(PPh₃)2Cl₂; CuI / 18 h / 20 °C

With hydrogenchloride; diisopropylamine; sodium nitrite; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; In water; 2.1: Sonogashira reaction;

DOI:10.1002/ejoc.200600428

Reference yield:

1-(2-iodophenoxy)benzene (34883-46-0) + propargyl alcohol (107-19-7) → 3-(2-phenoxy-phenyl)-prop-2-yn-1-ol (1028267-14-2)

Guidance literature:

With diisopropylamine; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; at 20 ℃; for 18h;

DOI:10.1002/ejoc.200600428

Reference yield:

3-(2-phenoxy-phenyl)-prop-2-yn-1-ol (1028267-14-2) → 1-ethynyl-2-phenoxybenzene (512197-88-5)

Guidance literature:

With manganese(IV) oxide; potassium hydroxide; In diethyl ether; at 20 ℃; for 1h;

DOI:10.1002/ejoc.200600428

upstream raw materials:

1-(2-iodophenoxy)benzene

propargyl alcohol

2-phenoxyaniline

Downstream raw materials:

1-ethynyl-2-phenoxybenzene

1-(1-bromonaphth-2-yloxy)-4-(2-phenoxyphenyl)but-3-yn-2-ol

4-(2-phenoxyphenyl)-2,3-dihydro-1-oxacyclopenta[def]phenanthren-3-ol