2-[4-(Carboxymethyl)phenoxy]-5-methylbenzeneacetic acid

Base Information

Chemical Name:2-[4-(Carboxymethyl)phenoxy]-5-methylbenzeneacetic acid
CAS No.:72619-35-3
Molecular Formula:C₁₇H₁₆O₅
Molecular Weight:300.311
Hs Code.:
DSSTox Substance ID:DTXSID101203414

Synonyms:2-[4-(Carboxymethyl)phenoxy]-5-methylbenzeneacetic acid;SCHEMBL11335192;DTXSID101203414;72619-35-3

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

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Chemical Property of 2-[4-(Carboxymethyl)phenoxy]-5-methylbenzeneacetic acid

Chemical Property:

XLogP3:2.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:300.09977361
Heavy Atom Count:22
Complexity:387

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC(=C(C=C1)OC2=CC=C(C=C2)CC(=O)O)CC(=O)O

Technology Process of 2-[4-(Carboxymethyl)phenoxy]-5-methylbenzeneacetic acid

There total 6 articles about 2-[4-(Carboxymethyl)phenoxy]-5-methylbenzeneacetic 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: 73.0%

: 82340-89-4
[2-(4-Cyanomethyl-phenoxy)-5-methyl-phenyl]-acetonitrile

: 72619-35-3
4-(2'-carboxymethyl-4'-methylphenoxy)phenylacetic acid

Guidance literature:: With potassium hydroxide; In ethanol; for 16h; Heating;
DOI:10.1021/jm00351a012

Reference yield:

: 120-47-8
Ethyl 4-hydroxybenzoate

: 72619-35-3
4-(2'-carboxymethyl-4'-methylphenoxy)phenylacetic acid

Guidance literature:: Multi-step reaction with 5 steps

1: 50 percent / K₂CO₃, Cu / nitrobenzene / 0.5 h / 140 - 150 °C

2: LiAlH₄ / tetrahydrofuran / 4 h / Heating

3: SOCl₂ / CHCl₃ / 1 h / Heating

4: dioxane; ethanol; H₂O / 6 h / Heating

5: 73 percent / aq. KOH / ethanol / 16 h / Heating

With potassium hydroxide; lithium aluminium tetrahydride; thionyl chloride; copper; potassium carbonate; In tetrahydrofuran; 1,4-dioxane; ethanol; chloroform; water; nitrobenzene;
DOI:10.1021/jm00351a012

Reference yield:

: 52548-14-8
2-iodoyl-5-methylbenzoic acid

: 72619-35-3
4-(2'-carboxymethyl-4'-methylphenoxy)phenylacetic acid

Guidance literature:: Multi-step reaction with 5 steps

1: 50 percent / K₂CO₃, Cu / nitrobenzene / 0.5 h / 140 - 150 °C

2: LiAlH₄ / tetrahydrofuran / 4 h / Heating

3: SOCl₂ / CHCl₃ / 1 h / Heating

4: dioxane; ethanol; H₂O / 6 h / Heating

5: 73 percent / aq. KOH / ethanol / 16 h / Heating

With potassium hydroxide; lithium aluminium tetrahydride; thionyl chloride; copper; potassium carbonate; In tetrahydrofuran; 1,4-dioxane; ethanol; chloroform; water; nitrobenzene;
DOI:10.1021/jm00351a012