3-(Prop-2-yn-1-yloxy)phenol

Base Information

• Chemical Name: 3-(Prop-2-yn-1-yloxy)phenol
• CAS No.: 3692-88-4
• Molecular Formula: C₉H₈O₂
• Molecular Weight: 148.161
• European Community (EC) Number: 836-345-6
• Nikkaji Number: J1.236.919K
• Mol file: 3692-88-4.mol

Synonyms:3-(prop-2-yn-1-yloxy)phenol;3692-88-4;3-prop-2-ynoxyphenol;3-propargyloxyphenol;resorcinol propargyl ether;3-(2-Propynyloxy)phenol;SCHEMBL2846222;FTDMYZWKKGITHT-UHFFFAOYSA-N;AKOS009316827;CS-0258920;EN300-71758;Z381415784

Chemical Property of 3-(Prop-2-yn-1-yloxy)phenol

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 148.052429494
• Heavy Atom Count: 11
• Complexity: 156

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C#CCOC1=CC=CC(=C1)O

Technology Process of 3-(Prop-2-yn-1-yloxy)phenol

There total 2 articles about 3-(Prop-2-yn-1-yloxy)phenol 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: 68.0%

propargyl bromide (106-96-7) + recorcinol (108-46-3) → 3-hydroxyphenyl propargyl ether (3692-88-4)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; toluene; at 60 ℃; for 16h; Sealed tube; Inert atmosphere;

DOI:10.1021/jacs.6b11971

Reference yield: 58.0%

propargyl bromide (106-96-7) + recorcinol (108-46-3) → m-bis(propargyloxy)benzene (26627-36-1) + 3-hydroxyphenyl propargyl ether (3692-88-4)

Guidance literature:

With potassium carbonate; In acetone; for 22h; Heating;

DOI:10.1021/jo015574g

Reference yield: 88.5%

1-(bromomethyl)-3-(methylsulfonyl)benzene (82657-76-9) + 3-hydroxyphenyl propargyl ether (3692-88-4) → 1-(methylsulfonyl)-3-((3-(prop-2-yn-1-yloxy)phenoxy)methyl)benzene

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 12h;

upstream raw materials:

propargyl bromide

recorcinol

Downstream raw materials:

Propyl-carbamic acid 3-prop-2-ynyloxy-phenyl ester

1,6-bis(3-hydroxyphenoxy)hexa-2,4-diyne

3-acetoxyphenyl propargyl ether

1,6-bis(3-acetoxyphenoxy)hexa-2,4-diyne