4-(Prop-2-yn-1-yloxy)benzoic acid

Base Information

• Chemical Name: 4-(Prop-2-yn-1-yloxy)benzoic acid
• CAS No.: 21926-55-6
• Molecular Formula: C10H8O3
• Molecular Weight: 176.172
• European Community (EC) Number: 849-691-8
• DSSTox Substance ID: DTXSID90389013
• Nikkaji Number: J995.453H
• Wikidata: Q82184357
• Mol file: 21926-55-6.mol

Synonyms:4-(prop-2-yn-1-yloxy)benzoic acid;21926-55-6;4-prop-2-ynoxybenzoic acid;Benzoic acid, 4-(2-propynyloxy)-;4-propargyloxy benzoic acid;4-(Propargyloxy)benzoic acid;4-Prop-2-ynyloxybenzoic acid;SCHEMBL4398919;DTXSID90389013;HRFYYZJGIFWLQF-UHFFFAOYSA-N;4-(prop-2-ynyloxy)-benzoic acid;4-(prop-2-yn-1-yloxy)benzoicacid;1propargyloxybenzene-4-carboxylic acid;AKOS000195127;1-propargyloxybenzene-4-carboxylic acid;EN300-86189;F2158-1676;Z118453292

Chemical Property of 4-(Prop-2-yn-1-yloxy)benzoic acid

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 176.047344113
• Heavy Atom Count: 13
• Complexity: 218

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-(Prop-2-yn-1-yloxy)benzoic acid

There total 11 articles about 4-(Prop-2-yn-1-yloxy)benzoic acid 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: 99.0%

methyl 4-(2-propynoxy)benzoate (98260-05-0) → 4-(prop-2-ynyloxy)benzoic acid (21926-55-6)

Guidance literature:

With sodium hydroxide; In methanol; at 20 ℃;

DOI:10.1002/ejoc.200600079

Reference yield: 97.0%

propargyl bromide (106-96-7) + 4-hydroxy-benzoic acid (99-96-7) → 4-(prop-2-ynyloxy)benzoic acid (21926-55-6)

Guidance literature:

With potassium iodide; sodium hydroxide; In ethanol; water; at 20 - 50 ℃;

DOI:10.1002/chem.201800389

Reference yield: 95.0%

4-prop-2-ynyloxybenzoic acid ethyl ester (175203-55-1) → 4-(prop-2-ynyloxy)benzoic acid (21926-55-6)

Guidance literature:

4-prop-2-ynyloxybenzoic acid ethyl ester; With lithium hydroxide monohydrate; In water; acetonitrile; at 20 ℃;

With hydrogenchloride; In water;

DOI:10.1016/j.bmcl.2009.05.047

upstream raw materials:

methyl 4-(2-propynoxy)benzoate

methyl 4-hydroxylbenzoate

propargyl bromide

4-hydroxy-benzoic acid

Downstream raw materials:

4-(prop-2-yn-1-yloxy)benzoyl chloride

1-allenyloxy benzene-4-carboxylic acid

2,5-dioxopyrrolidin-1-yl 4-(prop-2-ynyloxy)benzoate

(S)-N-(1-(1,2-dimethylhydrazinyl)-1-oxo-3-phenylpropan-2-yl)-4-(prop-2-ynyloxy)benzamide

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