Ethyl 5-isopropylisoxazole-3-carboxylate

Base Information

Chemical Name:Ethyl 5-isopropylisoxazole-3-carboxylate
CAS No.:91240-30-1
Molecular Formula:C₉H₁₃NO₃
Molecular Weight:183.207
Hs Code.:2934999090
DSSTox Substance ID:DTXSID30593112
Wikidata:Q72475622
Mol file:91240-30-1.mol

Synonyms:Ethyl 5-isopropylisoxazole-3-carboxylate;91240-30-1;ETHYL 5-ISOPROPYL-3-ISOXAZOLECARBOXYLATE;ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;ETHYL 5-ISOPROPYL-1,2-OXAZOLE-3-CARBOXYLATE;SCHEMBL1090847;DTXSID30593112;PVQVIEIJKPRYEI-UHFFFAOYSA-N;AMY25970;MFCD10037644;AKOS006346320;Ethyl5-isopropylisoxazole-3-carboxylate;ethyl 5-i-propyl-isoxazole-3-carboxylate;DB-078940;A860567;Ethyl 5-(propan-2-yl)-1,2-oxazole-3-carboxylate

Suppliers and Price of Ethyl 5-isopropylisoxazole-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

Crysdot
Ethyl5-isopropylisoxazole-3-carboxylate 95+%
1g
$ 339.00

Chemenu
ethyl5-isopropylisoxazole-3-carboxylate 95%
1g
$ 320.00

American Custom Chemicals Corporation
ETHYL-5-ISOPROPYL-3-ISOXAZOLECARBOXYLATE 95.00%
5MG
$ 502.34

Total 14 raw suppliers

Chemical Property of Ethyl 5-isopropylisoxazole-3-carboxylate

Chemical Property:

Vapor Pressure:0.00837mmHg at 25°C
Refractive Index:1.467
Boiling Point:267 °C at 760 mmHg
Flash Point:115.3 °C
PSA：52.33000
Density:1.078 g/cm³
LogP:1.97470
Storage Temp.:2-8°C
XLogP3:2.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:183.08954328
Heavy Atom Count:13
Complexity:182

Purity/Quality:

97% ^*data from raw suppliers

Ethyl5-isopropylisoxazole-3-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1=NOC(=C1)C(C)C

Technology Process of Ethyl 5-isopropylisoxazole-3-carboxylate

There total 4 articles about Ethyl 5-isopropylisoxazole-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: 98.0%

: 64195-85-3
ethyl 2,4-dioxo-5-methylhexanoate

: 91240-30-1
ethyl 5-isopropyl-1,2-oxazole-3-carboxylate

Guidance literature:: With hydroxylamine hydrochloride; In ethanol; at 15 - 25 ℃; for 1h; Heating / reflux;

Reference yield: 73.0%

: 91240-30-1
ethyl 5-isopropyl-1,2-oxazole-3-carboxylate

Guidance literature:

Reference yield:

: 563-80-4
3-methyl-butan-2-one

: 91240-30-1
ethyl 5-isopropyl-1,2-oxazole-3-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: 81 percent / NaH / toluene / 1 h / Heating

2: 76 percent / NH₂OH*HCl / ethanol / 2 h / Heating

With hydroxylamine hydrochloride; sodium hydride; In ethanol; toluene;
DOI:10.1016/S0040-4039(00)60386-6