Methyl 3,4-dihydro-4-oxo-2H-1-benzothiopyran-2-acetate

Base Information

Chemical Name:Methyl 3,4-dihydro-4-oxo-2H-1-benzothiopyran-2-acetate
CAS No.:86628-20-8
Molecular Formula:C12H12O3S
Molecular Weight:236.291
Hs Code.:
DSSTox Substance ID:DTXSID001006962

Synonyms:BRN 4462248;Methyl 3,4-dihydro-4-oxo-2H-1-benzothiopyran-2-acetate;86628-20-8;2H-1-Benzothiopyran-2-acetic acid, 3,4-dihydro-4-oxo-, methyl ester;DTXSID001006962;LS-41349;Methyl (4-oxo-3,4-dihydro-2H-1-benzothiopyran-2-yl)acetate

Suppliers and Price of Methyl 3,4-dihydro-4-oxo-2H-1-benzothiopyran-2-acetate

Supply Marketing:

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

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Chemical Property of Methyl 3,4-dihydro-4-oxo-2H-1-benzothiopyran-2-acetate

Chemical Property:

Vapor Pressure:1.85E-05mmHg at 25°C
Boiling Point:363.1°C at 760 mmHg
Flash Point:176.6°C
Density:1.244g/cm³
XLogP3:1.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:236.05071541
Heavy Atom Count:16
Complexity:290

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)CC1CC(=O)C2=CC=CC=C2S1

Technology Process of Methyl 3,4-dihydro-4-oxo-2H-1-benzothiopyran-2-acetate

There total 5 articles about Methyl 3,4-dihydro-4-oxo-2H-1-benzothiopyran-2-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: 70.0%

: 67-56-1
methanol

: 86628-18-4
(4-oxo-thiochroman-2-yl)acetic acid

: 86628-20-8
Methyl 1-thio-4-chromanone-2-acetate

Guidance literature:: With sulfuric acid; for 10h; Heating;

Reference yield:

: 5164-76-1
dimethyl glutaconate

: 86628-20-8
Methyl 1-thio-4-chromanone-2-acetate

Guidance literature:: Multi-step reaction with 4 steps

1: Triton-B / methanol / 10 h / Heating

2: 20 g / conc. HCl / 20 h / 120 °C

3: 54 percent / conc. H₂SO₄ / 24 h / Ambient temperature

4: 70 percent / conc. H₂SO₄ / 10 h / Heating

With hydrogenchloride; sulfuric acid; N-benzyl-trimethylammonium hydroxide; In methanol;

Reference yield:

: 108-98-5
thiophenol

: 86628-20-8
Methyl 1-thio-4-chromanone-2-acetate

Guidance literature:: Multi-step reaction with 4 steps

1: Triton-B / methanol / 10 h / Heating

2: 20 g / conc. HCl / 20 h / 120 °C

3: 54 percent / conc. H₂SO₄ / 24 h / Ambient temperature

4: 70 percent / conc. H₂SO₄ / 10 h / Heating

With hydrogenchloride; sulfuric acid; N-benzyl-trimethylammonium hydroxide; In methanol;