2,3-Dihydro-7-[4-(methylthio)benzoyl]-5-benzofuranacetic acid

Base Information

Chemical Name:2,3-Dihydro-7-[4-(methylthio)benzoyl]-5-benzofuranacetic acid
CAS No.:97483-14-2
Molecular Formula:C₁₈H₁₆O₄S
Molecular Weight:328.389
Hs Code.:
ChEMBL ID:CHEMBL75862
DSSTox Substance ID:DTXSID201182051

Synonyms:CHEMBL75862;DTXSID201182051;2,3-Dihydro-7-[4-(methylthio)benzoyl]-5-benzofuranacetic acid;97483-14-2

Suppliers and Price of 2,3-Dihydro-7-[4-(methylthio)benzoyl]-5-benzofuranacetic acid

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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 2,3-Dihydro-7-[4-(methylthio)benzoyl]-5-benzofuranacetic acid

Chemical Property:

XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:328.07693016
Heavy Atom Count:23
Complexity:444

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CSC1=CC=C(C=C1)C(=O)C2=CC(=CC3=C2OCC3)CC(=O)O

Technology Process of 2,3-Dihydro-7-[4-(methylthio)benzoyl]-5-benzofuranacetic acid

There total 6 articles about 2,3-Dihydro-7-[4-(methylthio)benzoyl]-5-benzofuranacetic 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: 91.0%

: 97483-12-0
ethyl 7-<4-(methylthio)benzoyl>-2,3-dihydrobenzofuran-5-ylacetate

: 97483-14-2
[7-(4-Methylsulfanyl-benzoyl)-2,3-dihydro-benzofuran-5-yl]-acetic acid

Guidance literature:: With sodium hydroxide; In methanol; for 2h; Ambient temperature;
DOI:10.1021/jm00161a030

Reference yield:

: 496-16-2
2.3-dihydrobenzofuran

: 97483-14-2
[7-(4-Methylsulfanyl-benzoyl)-2,3-dihydro-benzofuran-5-yl]-acetic acid

Guidance literature:: Multi-step reaction with 6 steps

1: 88 percent / AlCl₃ / CH₂Cl₂ / 0.5 h / -6 °C

2: 50.3 percent / sulfur, p-toluenesulfonic acid / 5 h / Heating

3: 70 percent / HOAc, H₂SO₄, H₂O / 4 h / Heating

4: 97 percent / conc. H₂SO₄ / toluene / 3 h / Heating

5: 56.7 percent / SnCl₄ / CH₂Cl₂ / 2 h / Heating

6: 91 percent / aq. NaOH / methanol / 2 h / Ambient temperature

With sodium hydroxide; aluminium trichloride; sulfuric acid; water; tin(IV) chloride; toluene-4-sulfonic acid; sulfur; acetic acid; In methanol; dichloromethane; toluene;
DOI:10.1021/jm00161a030

Reference yield:

: 90843-31-5
1-(2,3-dihydrobenzofuran-5-yl)ethanone

: 97483-14-2
[7-(4-Methylsulfanyl-benzoyl)-2,3-dihydro-benzofuran-5-yl]-acetic acid

Guidance literature:: Multi-step reaction with 5 steps

1: 50.3 percent / sulfur, p-toluenesulfonic acid / 5 h / Heating

2: 70 percent / HOAc, H₂SO₄, H₂O / 4 h / Heating

3: 97 percent / conc. H₂SO₄ / toluene / 3 h / Heating

4: 56.7 percent / SnCl₄ / CH₂Cl₂ / 2 h / Heating

5: 91 percent / aq. NaOH / methanol / 2 h / Ambient temperature

With sodium hydroxide; sulfuric acid; water; tin(IV) chloride; toluene-4-sulfonic acid; sulfur; acetic acid; In methanol; dichloromethane; toluene;
DOI:10.1021/jm00161a030