2H-1-Benzothiopyran-2-acetic acid, 3,4-dihydro-6-methyl-4-oxo-, methyl ester

Base Information

Chemical Name:2H-1-Benzothiopyran-2-acetic acid, 3,4-dihydro-6-methyl-4-oxo-, methyl ester
CAS No.:86628-22-0
Molecular Formula:C13H14O3S
Molecular Weight:250.318
Hs Code.:
DSSTox Substance ID:DTXSID401006964

Synonyms:BRN 4473958;Methyl 6-methyl-1-thio-4-chromanone-2-acetate;86628-22-0;2H-1-Benzothiopyran-2-acetic acid, 3,4-dihydro-6-methyl-4-oxo-, methyl ester;DTXSID401006964;LS-41347;Methyl (6-methyl-4-oxo-3,4-dihydro-2H-1-benzothiopyran-2-yl)acetate

Suppliers and Price of 2H-1-Benzothiopyran-2-acetic acid, 3,4-dihydro-6-methyl-4-oxo-, methyl ester

Supply Marketing:

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

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Chemical Property of 2H-1-Benzothiopyran-2-acetic acid, 3,4-dihydro-6-methyl-4-oxo-, methyl ester

Chemical Property:

Vapor Pressure:2.42E-06mmHg at 25°C
Boiling Point:391.7°Cat760mmHg
Flash Point:192.3°C
Density:1.214g/cm³
XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:250.06636548
Heavy Atom Count:17
Complexity:316

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC2=C(C=C1)SC(CC2=O)CC(=O)OC

Technology Process of 2H-1-Benzothiopyran-2-acetic acid, 3,4-dihydro-6-methyl-4-oxo-, methyl ester

There total 5 articles about 2H-1-Benzothiopyran-2-acetic acid, 3,4-dihydro-6-methyl-4-oxo-, methyl ester 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: 90.0%

: 67-56-1
methanol

: 86628-19-5
(6-Methyl-4-oxo-thiochroman-2-yl)-acetic acid

: 86628-22-0
(6-Methyl-4-oxo-thiochroman-2-yl)-acetic acid methyl ester

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

Reference yield:

: 5164-76-1
dimethyl glutaconate

: 86628-22-0
(6-Methyl-4-oxo-thiochroman-2-yl)-acetic acid methyl ester

Guidance literature:: Multi-step reaction with 4 steps

1: Triton-B / methanol / Heating

2: conc. HCl / 120 °C

3: 60 percent / conc. H₂SO₄ / 24 h / Ambient temperature

4: 90 percent / conc. H₂SO₄ / 10 h / Heating

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

Reference yield:

: 106-45-6
para-thiocresol

: 86628-22-0
(6-Methyl-4-oxo-thiochroman-2-yl)-acetic acid methyl ester

Guidance literature:: Multi-step reaction with 4 steps

1: Triton-B / methanol / Heating

2: conc. HCl / 120 °C

3: 60 percent / conc. H₂SO₄ / 24 h / Ambient temperature

4: 90 percent / conc. H₂SO₄ / 10 h / Heating

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