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ETHYL 4-OXO-TETRAHYDRO-3-THIOPYRANCARBOXYLATE, also known as ethyl 3,6-dihydro-4H-thiopyran-4-one-1-carboxylate, is a chemical compound belonging to the class of organic compounds known as thiepanes. These compounds are characterized by a ring of seven atoms with one sulfur atom. Derived from a thiopyran, which is a six-membered aromatic ring formed by substituting one oxygen atom with a sulfur atom in a pyran, ETHYL 4-OXO-TETRAHYDRO-3-THIOPYRANCARBOXYLATE's properties and potential applications are currently limited in available information and may necessitate further research and study.

1198-44-3

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1198-44-3 Usage

Uses

Due to the limited information provided on the properties and applications of ETHYL 4-OXO-TETRAHYDRO-3-THIOPYRANCARBOXYLATE, specific uses in various industries are not clearly outlined in the materials. However, given its classification as a thiepane and its structural characteristics, it may potentially be explored for applications in the following industries:
Used in Pharmaceutical Industry:
ETHYL 4-OXO-TETRAHYDRO-3-THIOPYRANCARBOXYLATE could be used as a pharmaceutical intermediate for the synthesis of various therapeutic agents, given its unique ring structure and the presence of a sulfur atom, which may offer distinct chemical reactivity and biological activity.
Used in Chemical Research:
As a member of the thiepane class, ETHYL 4-OXO-TETRAHYDRO-3-THIOPYRANCARBOXYLATE may be utilized in chemical research to study the properties of sulfur-containing heterocycles and their potential applications in organic synthesis, materials science, or as precursors to other complex organic molecules.
Used in Material Science:
ETHYL 4-OXO-TETRAHYDRO-3-THIOPYRANCARBOXYLATE may also be investigated for its potential use in material science, particularly in the development of new polymers, coatings, or other materials that could benefit from the unique structural features of thiepanes.

Check Digit Verification of cas no

The CAS Registry Mumber 1198-44-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,1,9 and 8 respectively; the second part has 2 digits, 4 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 1198-44:
(6*1)+(5*1)+(4*9)+(3*8)+(2*4)+(1*4)=83
83 % 10 = 3
So 1198-44-3 is a valid CAS Registry Number.
InChI:InChI=1/C8H12O3S/c1-2-11-8(10)6-5-12-4-3-7(6)9/h6H,2-5H2,1H3

1198-44-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name ethyl 4-oxothiane-3-carboxylate

1.2 Other means of identification

Product number -
Other names ethyl 4-oxotetrahydro-2H-thiopyran-3-carboxylate

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:1198-44-3 SDS

1198-44-3Relevant academic research and scientific papers

Eight-membered thiocycloether via indium-mediated ring enlargement

Li, Chao-Jun,Chen, Dong-Li

, p. 735 - 736 (1999)

The ring expansion of a thiocycloether is studied. Ethyl-4-oxo- thiotetrahydropyran-3-carboxylate was expanded to an eight-membered thiocyclo ether by using indium mediated carbon-carbon bond formation in aqueous medium.

Optimization of 1,2,3,4-tetrahydroacridin-9(10 H)-ones as antimalarials utilizing structure-activity and structure-property relationships

Cross, R. Matthew,Maignan, Jordany R.,Mutka, Tina S.,Luong, Lisa,Sargent, Justin,Kyle, Dennis E.,Manetsch, Roman

experimental part, p. 4399 - 4426 (2011/09/15)

Antimalarial activity of 1,2,3,4-tetrahydroacridin-9(10H)-ones (THAs) has been known since the 1940s and has garnered more attention with the development of the acridinedione floxacrine (1) in the 1970s and analogues thereof such as WR 243251 (2a) in the 1990s. These compounds failed just prior to clinical development because of suboptimal activity, poor solubility, and rapid induction of parasite resistance. Moreover, detailed structure-activity relationship (SAR) studies of the THA core scaffold were lacking and SPR studies were nonexistent. To improve upon initial findings, several series of 1,2,3,4-tetrahydroacridin-9(10H)-ones were synthesized and tested in a systematic fashion, examining each compound for antimalarial activity, solubility, and permeability. Furthermore, a select set of compounds was chosen for microsomal stability testing to identify physicochemical liabilities of the THA scaffold. Several potent compounds (EC50 100 nM) were identified to be active against the clinically relevant isolates W2 and TM90-C2B while possessing good physicochemical properties and little to no cross-resistance.

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