alpha-Ethynyl-p-methoxybenzyl alcohol acetate

Base Information

Chemical Name:alpha-Ethynyl-p-methoxybenzyl alcohol acetate
CAS No.:99520-55-5
Molecular Formula:C12H12O3
Molecular Weight:204.225
Hs Code.:
DSSTox Substance ID:DTXSID20912651
Nikkaji Number:J1.691.209C

Synonyms:alpha-Ethynyl-p-methoxybenzyl alcohol acetate;1'-Acetoxy-2',3'-dehydroestragole;99520-55-5;Benzyl alcohol, alpha-ethynyl-p-methoxy-, acetate;Benzenemethanol, alpha-ethynyl-4-methoxy-, acetate;1-(4-methoxyphenyl)prop-2-yn-1-yl acetate;DTXSID20912651;LS-42988;3-Acetoxy-3-(4-methoxyphenyl)-1-propyne

Suppliers and Price of alpha-Ethynyl-p-methoxybenzyl alcohol acetate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemical Property of alpha-Ethynyl-p-methoxybenzyl alcohol acetate

Chemical Property:

Vapor Pressure:0.00105mmHg at 25°C
Boiling Point:301.5°Cat760mmHg
Flash Point:122.6°C
Density:1.111g/cm³
XLogP3:2.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:204.078644241
Heavy Atom Count:15
Complexity:255

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)OC(C#C)C1=CC=C(C=C1)OC

Technology Process of alpha-Ethynyl-p-methoxybenzyl alcohol acetate

There total 10 articles about alpha-Ethynyl-p-methoxybenzyl alcohol acetate 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: 96.0%

: 108-24-7
acetic anhydride

: 123-11-5
4-methoxy-benzaldehyde

: 4301-14-8
acetylenemagnesium bromide

: 99520-55-5
3-acetoxy-3-(4-methoxyphenyl)prop-1-yne

Guidance literature:: 4-methoxy-benzaldehyde; acetylenemagnesium bromide; In tetrahydrofuran; at 0 - 20 ℃; for 0.916667h; Inert atmosphere;

acetic anhydride; In tetrahydrofuran; at 0 - 20 ℃; for 1.33333h; Inert atmosphere;
DOI:10.1002/adsc.201300720

Reference yield: 82.0%

: 19115-30-1
1-(4-methoxyphenyl)-2-propyn-1-ol

: 108-24-7
acetic anhydride

: 99520-55-5
3-acetoxy-3-(4-methoxyphenyl)prop-1-yne

Guidance literature:: With dmap; triethylamine; In dichloromethane; at 20 ℃; Cooling with ice;
DOI:10.1016/j.tet.2016.09.013

Reference yield:

: 123-11-5
4-methoxy-benzaldehyde

: 99520-55-5
3-acetoxy-3-(4-methoxyphenyl)prop-1-yne

Guidance literature:: Multi-step reaction with 3 steps

1.1: nBuLi / tetrahydrofuran / 0.33 h / -78 °C

1.2: tetrahydrofuran / 0.33 h

2.1: 4-dimethylaminopyridine; Et₃N

3.1: 1.59 g / KF; water / dimethylsulfoxide / 0.75 h

With dmap; potassium fluoride; n-butyllithium; water; triethylamine; In tetrahydrofuran; dimethyl sulfoxide;
DOI:10.1002/chem.200700134