1,4-Oxathiin-3-carboxylicacid, 6-ethoxy-5,6-dihydro-2-methyl-

Base Information

Chemical Name:1,4-Oxathiin-3-carboxylicacid, 6-ethoxy-5,6-dihydro-2-methyl-
CAS No.:321904-60-3
Molecular Formula:C8H12 O4 S
Molecular Weight:204.24
Hs Code.:
DSSTox Substance ID:DTXSID30445021
Nikkaji Number:J1.433.915I
Mol file:321904-60-3.mol

Synonyms:321904-60-3;1,4-Oxathiin-3-carboxylicacid, 6-ethoxy-5,6-dihydro-2-methyl-;DTXSID30445021;6-Ethoxy-5,6-dihydro-2-methyl-1,4-oxathiin-3-carboxylic acid;InChI=1/C8H12O4S/c1-3-11-6-4-13-7(8(9)10)5(2)12-6/h6H,3-4H2,1-2H3,(H,9,10

Suppliers and Price of 1,4-Oxathiin-3-carboxylicacid, 6-ethoxy-5,6-dihydro-2-methyl-

Supply Marketing:

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

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Chemical Property of 1,4-Oxathiin-3-carboxylicacid, 6-ethoxy-5,6-dihydro-2-methyl-

Chemical Property:

PSA：81.06000
LogP:1.42850
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:204.04563003
Heavy Atom Count:13
Complexity:236

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC1CSC(=C(O1)C)C(=O)O

Technology Process of 1,4-Oxathiin-3-carboxylicacid, 6-ethoxy-5,6-dihydro-2-methyl-

There total 1 articles about 1,4-Oxathiin-3-carboxylicacid, 6-ethoxy-5,6-dihydro-2-methyl- 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: 80.0%

: S-tert-butyl 6-ethoxy-5,6-dihydro-2-methyl-1,4-oxathiin-3-carbothioate

: 321904-60-3
6-ethoxy-5,6-dihydro-2-methyl-1,4-oxathiin-3-carboxylic acid

Guidance literature:: With lithium hydroxide; tetra(n-butyl)ammonium hydroxide; water; In tetrahydrofuran; at 20 ℃; for 72h;
DOI:10.1002/1099-0690(200011)2000:22<3721::AID-EJOC3721>3.0.CO;2-B

Reference yield: 78.0%

: 4392-24-9
Cinnamyl bromide

: 321904-60-3
6-ethoxy-5,6-dihydro-2-methyl-1,4-oxathiin-3-carboxylic acid

: 321904-63-6
(2E)-3-phenylprop-2-enyl 6-ethoxy-5,6-dihydro-2-methyl-1,4-oxathiin-3-carboxylate

Guidance literature:: With 1,8-diazabicyclo[5.4.0]undec-7-ene; In benzene; at 20 ℃;
DOI:10.1002/1099-0690(200011)2000:22<3721::AID-EJOC3721>3.0.CO;2-B

Reference yield:

: 321904-60-3
6-ethoxy-5,6-dihydro-2-methyl-1,4-oxathiin-3-carboxylic acid

: 8-methyl-6-phenyl-9-thia-3,7-dioxabicyclo[3.3.1]non-1⁽⁸⁾-ene-2,9-dione

Guidance literature:: Multi-step reaction with 3 steps

1: 78 percent / DBU / benzene / 20 °C

2: 77 percent / m-CPBA / CH₂Cl₂ / -18 °C

3: 43 percent / CHCl₃ / 240 h / 60 °C

With 1,8-diazabicyclo[5.4.0]undec-7-ene; 3-chloro-benzenecarboperoxoic acid; In dichloromethane; chloroform; benzene; 3: Diels-Alder reaction;
DOI:10.1002/1099-0690(200011)2000:22<3721::AID-EJOC3721>3.0.CO;2-B