Ethyl 2-(3-methylisoxazol-5-yl)acetate

Base Information

Chemical Name:Ethyl 2-(3-methylisoxazol-5-yl)acetate
CAS No.:173850-46-9
Molecular Formula:C₈H₁₁NO₃
Molecular Weight:169.18
Hs Code.:2934999090
DSSTox Substance ID:DTXSID20469099
Nikkaji Number:J2.266.747E
Wikidata:Q82296674
Mol file:173850-46-9.mol

Synonyms:Ethyl 2-(3-methylisoxazol-5-yl)acetate;173850-46-9;Ethyl 2-(3-methyl-1,2-oxazol-5-yl)acetate;5-Isoxazoleaceticacid,3-methyl-,ethylester(9CI);SCHEMBL4751904;DTXSID20469099;NGZXLVXMAFQCHP-UHFFFAOYSA-N;AKOS006372270;Ethyl2-(3-methylisoxazol-5-yl)acetate;2-Chloro-4-(methylthio)-3-nitropyridine;EN300-7814754;A907701

Suppliers and Price of Ethyl 2-(3-methylisoxazol-5-yl)acetate

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
Ethyl2-(3-methylisoxazol-5-yl)acetate 95+%
1g
$ 772.00

Chemenu
ethyl2-(3-methylisoxazol-5-yl)acetate 95%
1g
$ 729.00

American Custom Chemicals Corporation
ETHYL-2-(3-METHYLISOXAZOL-5-YL)ACETATE 95.00%
5MG
$ 497.59

Total 4 raw suppliers

Chemical Property of Ethyl 2-(3-methylisoxazol-5-yl)acetate

Chemical Property:

PSA：52.33000
LogP:1.08860
Storage Temp.:2-8°C
XLogP3:1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:169.07389321
Heavy Atom Count:12
Complexity:160

Purity/Quality:

97% ^*data from raw suppliers

Ethyl2-(3-methylisoxazol-5-yl)acetate 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)CC1=CC(=NO1)C

Technology Process of Ethyl 2-(3-methylisoxazol-5-yl)acetate

There total 2 articles about Ethyl 2-(3-methylisoxazol-5-yl)acetate 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: 97.0%

: 64-17-5
ethanol

: 19668-85-0
2-(3-methylisoxazol-5-yl)acetic acid

: 173850-46-9
ethyl methyl 2-(3-methylisoxazol-5-yl)acetate

Guidance literature:: sulfuric acid; at 20 ℃; for 48h;

Reference yield: 80.0%

: 173850-46-9
ethyl methyl 2-(3-methylisoxazol-5-yl)acetate

Guidance literature:

Reference yield:

: 173850-46-9
ethyl methyl 2-(3-methylisoxazol-5-yl)acetate

: 4-(8-chloro-1-methyl-5-oxo-4H-benzo[b]isoxazolo[4,5-d]azepin-6(5H)-yl)benzonitrile

Guidance literature:: Multi-step reaction with 4 steps

1: N-Bromosuccinimide / N,N-dimethyl-formamide / 20 °C

2: potassium phosphate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; tri tert-butylphosphoniumtetrafluoroborate / 1,4-dioxane; water / 2 h / 80 °C / Inert atmosphere

3: hydrogenchloride / ethanol / 3 h / 20 - 80 °C

4: potassium phosphate; copper(l) iodide; trans-1,2-cyclohexanediamine / 1,4-dioxane / 5 h / 80 - 110 °C / Sealed tube; Inert atmosphere

With hydrogenchloride; potassium phosphate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; N-Bromosuccinimide; copper(l) iodide; trans-1,2-cyclohexanediamine; tri tert-butylphosphoniumtetrafluoroborate; In 1,4-dioxane; ethanol; water; N,N-dimethyl-formamide;