Methyl-3-hydroxyisothiazole-5-carboxylate

Base Information

Chemical Name:Methyl-3-hydroxyisothiazole-5-carboxylate
CAS No.:100241-89-2
Molecular Formula:C5H5 N O3 S
Molecular Weight:159.166
Hs Code.:
European Community (EC) Number:837-075-1
DSSTox Substance ID:DTXSID90444616
Mol file:100241-89-2.mol

Synonyms:100241-89-2;METHYL-3-HYDROXYISOTHIAZOLE-5-CARBOXYLATE;methyl 3-hydroxyisothiazole-5-carboxylate;Methyl 3-oxo-2,3-dihydroisothiazole-5-carboxylate;Methyl 3-oxo-1,2-thiazole-5-carboxylate;5-Isothiazolecarboxylic acid, 2,3-dihydro-3-oxo-, methyl ester;3-hydroxy-isothiazole-5-carboxylic acid methyl ester;SCHEMBL1912667;DTXSID90444616;JIVHGUBSIXQWFG-UHFFFAOYSA-N;AKOS006326882;methyl 3-hydroxy-5-isothiazolecarboxylate;CS-0112676;FT-0671832;D77112;EN300-3168703;J-000071;METHYL 3-HYDROXY-1,2-THIAZOLE-5-CARBOXYLATE;methyl 3-oxo-2,3-dihydro-1,2-thiazole-5-carboxylate;Z1198234407

Suppliers and Price of Methyl-3-hydroxyisothiazole-5-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
Methyl-3-hydroxyisothiazole-5-carboxylate
1g
$ 970.00

TRC
Methyl-3-hydroxyisothiazole-5-carboxylate
250mg
$ 340.00

Total 6 raw suppliers

Chemical Property of Methyl-3-hydroxyisothiazole-5-carboxylate

Chemical Property:

Melting Point:171-174°C
Refractive Index:1.571
PSA：87.40000
Density:1.452g/cm³
LogP:0.22300
Storage Temp.:Refrigerator
XLogP3:-0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:158.99901420
Heavy Atom Count:10
Complexity:211

Purity/Quality:

98%Min ^*data from raw suppliers

Methyl-3-hydroxyisothiazole-5-carboxylate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=CC(=O)NS1
Uses Methyl-3-hydroxyisothiazole-5-carboxylate (cas# 100241-89-2) is a compound useful in organic synthesis.

Technology Process of Methyl-3-hydroxyisothiazole-5-carboxylate

There total 1 articles about Methyl-3-hydroxyisothiazole-5-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: 67.0%

: 67-56-1
methanol

: 62020-63-7
3-hydroxyisothiazole-5-carboxamide

: 100241-89-2
methyl 3-hydroxyisothiazole-5-carboxylate

Guidance literature:: With acetyl chloride; In methanol; at 50 ℃; for 18h;
DOI:10.1002/jlcr.2580360909

Reference yield: 78.0%

: 18718-79-1
5-methyl-3-phenyl-4-isoxazolylmethanol

: 100241-89-2
methyl 3-hydroxyisothiazole-5-carboxylate

: 1240402-72-5
3-(5-methyl-3-phenyl-isoxazol-4-ylmethoxy)-isothiazole-5-carboxylic acid methyl ester

Guidance literature:: 5-methyl-3-phenyl-4-isoxazolylmethanol; methyl 3-hydroxyisothiazole-5-carboxylate; With triphenylphosphine; In tetrahydrofuran; at 0 ℃; Inert atmosphere;

With diethylazodicarboxylate; In tetrahydrofuran; toluene; at 20 ℃;