3,4-Dihydro-4-oxo-2H-1-benzothiopyran-2-acetic acid

Base Information

Chemical Name:3,4-Dihydro-4-oxo-2H-1-benzothiopyran-2-acetic acid
CAS No.:86628-18-4
Molecular Formula:C11H10O3S
Molecular Weight:222.265
Hs Code.:2932999099
DSSTox Substance ID:DTXSID601006960
Mol file:86628-18-4.mol

Synonyms:86628-18-4;1-Thio-4-chromanone-2-acetic acid;3,4-Dihydro-4-oxo-2H-1-benzothiopyran-2-acetic acid;BRN 4447370;2H-1-Benzothiopyran-2-acetic acid, 3,4-dihydro-4-oxo-;2-(4-oxothiochroman-2-yl)acetic acid;DTXSID601006960;AKOS022654496;LS-41348;F2147-4228;(4-Oxo-3,4-dihydro-2H-1-benzothiopyran-2-yl)acetic acid

Suppliers and Price of 3,4-Dihydro-4-oxo-2H-1-benzothiopyran-2-acetic acid

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
1-THIO-4-CHROMANONE-2-ACETIC ACID 95.00%
5MG
$ 505.01

Total 2 raw suppliers

Chemical Property of 3,4-Dihydro-4-oxo-2H-1-benzothiopyran-2-acetic acid

Chemical Property:

Vapor Pressure:1.04E-08mmHg at 25°C
Boiling Point:445.2°C at 760 mmHg
Flash Point:223.1°C
PSA：79.67000
Density:1.351g/cm³
LogP:2.20840
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:222.03506535
Heavy Atom Count:15
Complexity:277

Purity/Quality:: 1-THIO-4-CHROMANONE-2-ACETIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C(SC2=CC=CC=C2C1=O)CC(=O)O

Technology Process of 3,4-Dihydro-4-oxo-2H-1-benzothiopyran-2-acetic acid

There total 1 articles about 3,4-Dihydro-4-oxo-2H-1-benzothiopyran-2-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:

: 5164-76-1
dimethyl glutaconate

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

Guidance literature:: Multi-step reaction with 3 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

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