3-Isoxazolecarboxamide, N-(2,6-dimethylphenyl)-5-(hydroxymethyl)-

Base Information

Chemical Name:3-Isoxazolecarboxamide, N-(2,6-dimethylphenyl)-5-(hydroxymethyl)-
CAS No.:130403-18-8
Molecular Formula:C13H14 N2 O3
Molecular Weight:246.2619
Hs Code.:
UNII:527HOM1DFY
DSSTox Substance ID:DTXSID90156525
Nikkaji Number:J517.244F
Wikidata:Q83024597

Synonyms:BRN 5853002;527HOM1DFY;3-Isoxazolecarboxamide, N-(2,6-dimethylphenyl)-5-(hydroxymethyl)-;D-3017;UNII-527HOM1DFY;N-(2,6-Dimethylphenyl)-5-(hydroxymethyl)-3-isoxazolecarboxamide;130403-18-8;SCHEMBL9133800;DTXSID90156525;LS-86548;D3017;D 3017

Suppliers and Price of 3-Isoxazolecarboxamide, N-(2,6-dimethylphenyl)-5-(hydroxymethyl)-

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

Total 1 raw suppliers

Chemical Property of 3-Isoxazolecarboxamide, N-(2,6-dimethylphenyl)-5-(hydroxymethyl)-

Chemical Property:

Vapor Pressure:5.56E-06mmHg at 25°C
Boiling Point:365.4°C at 760 mmHg
Flash Point:174.8°C
Density:1.291g/cm³
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:246.10044231
Heavy Atom Count:18
Complexity:288

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C(=CC=C1)C)NC(=O)C2=NOC(=C2)CO

Technology Process of 3-Isoxazolecarboxamide, N-(2,6-dimethylphenyl)-5-(hydroxymethyl)-

There total 5 articles about 3-Isoxazolecarboxamide, N-(2,6-dimethylphenyl)-5-(hydroxymethyl)- 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: 75.0%

: 130403-23-5
3-(2,6-dimethyl phenyl carbamoyl)-5-acetoxymethyl isoxazole

: 130403-18-8
D₃₀₁₇

Guidance literature:: With ammonium hydroxide; In methanol; for 12h; Ambient temperature;
DOI:10.1016/0223-5234(92)90137-P

Reference yield: 40.0%

: 130403-18-8
D₃₀₁₇

Guidance literature:

Reference yield:

: 123770-62-7
ethyl 5-(hydroxymethyl)isoxazole-3-carboxylate

: 130403-18-8
D₃₀₁₇

Guidance literature:: Multi-step reaction with 4 steps

1: 10percent aq. NaOH / ethanol / Ambient temperature

2: conc. H₂SO₄ / acetic acid

3: 1.) POCl₃, 2.) Et₃N / 1.) THF, 0 deg C, 2.) THF, RT, 12 h

4: 75 percent / 20percent NH₄OH / methanol / 12 h / Ambient temperature

With ammonium hydroxide; sodium hydroxide; sulfuric acid; triethylamine; trichlorophosphate; In methanol; ethanol; acetic acid;
DOI:10.1016/0223-5234(92)90137-P