(7-Benzoyl-2,3-dihydro-1-benzothiophen-5-yl)acetic acid

Base Information

Chemical Name:(7-Benzoyl-2,3-dihydro-1-benzothiophen-5-yl)acetic acid
CAS No.:104172-31-8
Molecular Formula:C17H14O3S
Molecular Weight:298.362
Hs Code.:
ChEMBL ID:CHEMBL307417
DSSTox Substance ID:DTXSID50547177
Wikidata:Q82425237

Synonyms:104172-31-8;CHEMBL307417;(7-Benzoyl-2,3-dihydro-1-benzothiophen-5-yl)acetic acid;DTXSID50547177

Suppliers and Price of (7-Benzoyl-2,3-dihydro-1-benzothiophen-5-yl)acetic acid

Supply Marketing:

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

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Chemical Property of (7-Benzoyl-2,3-dihydro-1-benzothiophen-5-yl)acetic acid

Chemical Property:

XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:298.06636548
Heavy Atom Count:21
Complexity:403

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CSC2=C1C=C(C=C2C(=O)C3=CC=CC=C3)CC(=O)O

Technology Process of (7-Benzoyl-2,3-dihydro-1-benzothiophen-5-yl)acetic acid

There total 6 articles about (7-Benzoyl-2,3-dihydro-1-benzothiophen-5-yl)acetic 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:

: (7-Benzoyl-2,3-dihydro-benzo[b]thiophen-5-yl)-acetic acid ethyl ester

: 104172-31-8
(7-Benzoyl-2,3-dihydro-benzo[b]thiophen-5-yl)-acetic acid

Guidance literature:: With sodium hydroxide; In methanol; for 2h; Yield given; Heating;
DOI:10.1021/jm00161a030

Reference yield:

: 4565-32-6
2,3-dihydrobenzo(b)thiophene

: 104172-31-8
(7-Benzoyl-2,3-dihydro-benzo[b]thiophen-5-yl)-acetic acid

Guidance literature:: Multi-step reaction with 6 steps

1: 49 percent / AlCl₃ / CH₂Cl₂ / 0.5 h / -6 °C

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

3: 78 percent / HOAc, H₂SO₄, H₂O / 4 h / Heating

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

5: AlCl₃ / CS₂ / 2 h / Heating

6: aq. NaOH / methanol / 2 h / Heating

With sodium hydroxide; aluminium trichloride; sulfuric acid; water; toluene-4-sulfonic acid; sulfur; acetic acid; In methanol; carbon disulfide; dichloromethane; toluene;
DOI:10.1021/jm00161a030

Reference yield:

: 7019-66-1
1-(2,3-dihydrobenzo[b]thiophen-5-yl)ethan-1-one

: 104172-31-8
(7-Benzoyl-2,3-dihydro-benzo[b]thiophen-5-yl)-acetic acid

Guidance literature:: Multi-step reaction with 5 steps

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

2: 78 percent / HOAc, H₂SO₄, H₂O / 4 h / Heating

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

4: AlCl₃ / CS₂ / 2 h / Heating

5: aq. NaOH / methanol / 2 h / Heating

With sodium hydroxide; aluminium trichloride; sulfuric acid; water; toluene-4-sulfonic acid; sulfur; acetic acid; In methanol; carbon disulfide; toluene;
DOI:10.1021/jm00161a030