Ethyl 4-oxotetrahydro-2H-thiopyran-3-carboxylate

Base Information

Chemical Name:Ethyl 4-oxotetrahydro-2H-thiopyran-3-carboxylate
CAS No.:1198-44-3
Molecular Formula:C8H12O3S
Molecular Weight:188.24
Hs Code.:2934999090
NSC Number:84522
DSSTox Substance ID:DTXSID40292669
Nikkaji Number:J406.023G
Mol file:1198-44-3.mol

Synonyms:1198-44-3;Ethyl 4-oxotetrahydro-2H-thiopyran-3-carboxylate;Ethyl 4-oxo-tetrahydro-3-thiopyrancarboxylate;ethyl 4-oxothiane-3-carboxylate;2H-Thiopyran-3-carboxylic acid, tetrahydro-4-oxo-, ethyl ester;NSC84522;NCIOpen2_000979;SCHEMBL8489133;3-(Ethoxycarbonyl)-4-oxothiane;SCHEMBL11864149;DTXSID40292669;FXADJIANKOBZGT-UHFFFAOYSA-N;AMY26525;BAA19844;MFCD00040797;NSC-84522;AKOS006273494;AS-41318;CS-0196557;FT-0694491;ETHYL4-OXO-TETRAHYDRO-3-THIOPYRANCARBOXYLATE;Ethyl 2,3,5,6-tetrahydro-4-oxo-4H-thiopyran-3-carboxylate;ethyl 4-oxo-1,3,5,6-tetrahydro-4H-thiopyran-3-carboxylate;ethyl 4-oxo-2,3,5,6-tetrahydro-4H-thiopyran-3-carboxylate;Ethyl 4-oxo-3,4,5,6-tetrahydro-2H-thiopyran-3-carboxylate;ethyl 4-oxo-3,4,5,6-tetrahydro-2H-thiopyrane-3-carboxylate

Suppliers and Price of Ethyl 4-oxotetrahydro-2H-thiopyran-3-carboxylate

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

TRC
Ethyl4-Oxotetrahydro-2H-thiopyran-3-carboxylate
50mg
$ 90.00

TRC
Ethyl4-Oxotetrahydro-2H-thiopyran-3-carboxylate
100mg
$ 130.00

SynQuest Laboratories
Ethyl 4-oxotetrahydro-2H-thiopyran-3-carboxylate
250 mg
$ 104.00

SynQuest Laboratories
Ethyl 4-oxotetrahydro-2H-thiopyran-3-carboxylate
1 g
$ 220.00

Matrix Scientific
Ethyl 4-oxotetrahydro-2H-thiopyran-3-carboxylate 97%
1g
$ 623.00

Labseeker
ETHYL4-OXO-TETRAHYDRO-3-THIOPYRANCARBOXYLATE 97
10g
$ 1783.00

Crysdot
Ethyl4-oxotetrahydro-2H-thiopyran-3-carboxylate 97%
1g
$ 255.00

Chemenu
ethyl4-oxotetrahydro-2H-thiopyran-3-carboxylate 96%
1g
$ 223.00

Atlantic Research Chemicals
Ethyl4-Oxotetrahydro-2H-thiopyran-3-carboxylate 95%
1gm:
$ 194.40

Apolloscientific
Ethyl 4-oxotetrahydro-2H-thiopyran-3-carboxylate
1g
$ 185.00

Total 27 raw suppliers

Chemical Property of Ethyl 4-oxotetrahydro-2H-thiopyran-3-carboxylate

Chemical Property:

Vapor Pressure:0.00121mmHg at 25°C
Melting Point:59 °C
Refractive Index:1.511
Boiling Point:299.2 °C at 760 mmHg
PKA:10.43±0.20(Predicted)
Flash Point:142.3 °C
PSA：68.67000
Density:1.202 g/cm³
LogP:0.87170
Storage Temp.:Keep in dark place,Sealed in dry,Room Temperature
XLogP3:0.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:188.05071541
Heavy Atom Count:12
Complexity:191

Purity/Quality:

97% ^*data from raw suppliers

Ethyl4-Oxotetrahydro-2H-thiopyran-3-carboxylate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1CSCCC1=O

Technology Process of Ethyl 4-oxotetrahydro-2H-thiopyran-3-carboxylate

There total 4 articles about Ethyl 4-oxotetrahydro-2H-thiopyran-3-carboxylate 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: 40.0%

: 673-79-0
diethyl 3,3'-thiobispropionate

: 1198-44-3
ethyl 4-oxotetrahydro-2H-thiopyran-3-carboxylate

Guidance literature:: With sodium ethanolate; In tetrahydrofuran; for 24h; Ambient temperature;
DOI:10.1055/s-1999-2710

Reference yield:

: 140-88-5,9003-32-1
ethyl acrylate

: 1198-44-3
ethyl 4-oxotetrahydro-2H-thiopyran-3-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: 70 percent / H₂S, NaOAc / ethanol / Heating

2: 40 percent / NaOEt / tetrahydrofuran / 24 h / Ambient temperature

With hydrogen sulfide; sodium ethanolate; sodium acetate; In tetrahydrofuran; ethanol;
DOI:10.1055/s-1999-2710

Reference yield:

: 111-17-1
4-thiaheptane-1,7-dioic acid

: 1198-44-3
ethyl 4-oxotetrahydro-2H-thiopyran-3-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: sulfuric acid / 4 h / Reflux

2: ethanol; sodium hydride / diethyl ether / 8 h / Reflux

With ethanol; sulfuric acid; sodium hydride; In diethyl ether;
DOI:10.1021/jm200015a