N-(5-methyl-3-isoxazolyl)benzenesulfonamide

Base Information

Chemical Name:N-(5-methyl-3-isoxazolyl)benzenesulfonamide
CAS No.:13053-79-7
Molecular Formula:C10H10N2O3S
Molecular Weight:238.267
Hs Code.:
DSSTox Substance ID:DTXSID201017800
Nikkaji Number:J2.156.534B
ChEMBL ID:CHEMBL608998
Mol file:13053-79-7.mol

Synonyms:13053-79-7;N-(5-methyl-3-isoxazolyl)benzenesulfonamide;N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide;n-(5-methylisoxazol-3-yl)benzenesulfonamide;Desaminosulfamethoxazole;Oprea1_719303;Oprea1_826935;CBDivE_009121;MLS000114244;CHEMBL608998;SCHEMBL1027519;SQNUDFDMVUDDJY-UHFFFAOYSA-N;DTXSID201017800;HMS2256L24;STL363011;AKOS002951110;CCG-110166;BS-51245;SMR000091664;CS-0280754;FT-0671881;N-(5-methy-3-isoxazolyl)benzene-sulfonamide;N-(5-methylisoxazol-3-yl)-benzenesulfonamide;F87778;Z88895698

Suppliers and Price of N-(5-methyl-3-isoxazolyl)benzenesulfonamide

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
N-(5-Methyl-3-isoxazolyl)benzenesulfonamide
5g
$ 1190.00

Medical Isotopes, Inc.
N-(5-Methyl-3-isoxazolyl)benzenesulfonamide
500 mg
$ 650.00

Total 5 raw suppliers

Chemical Property of N-(5-methyl-3-isoxazolyl)benzenesulfonamide

Chemical Property:

Melting Point:112.5 °C
Boiling Point:414.8±47.0 °C(Predicted)
PKA:6.92±0.50(Predicted)
PSA：80.58000
Density:1.394±0.06 g/cm3(Predicted)
LogP:2.93760
Storage Temp.:Refrigerator
Solubility.:Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:238.04121336
Heavy Atom Count:16
Complexity:319

Purity/Quality:

99% ^*data from raw suppliers

N-(5-Methyl-3-isoxazolyl)benzenesulfonamide ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=NO1)NS(=O)(=O)C2=CC=CC=C2
Uses N-(5-Methyl-3-isoxazolyl)benzenesulfonamide is used in the preparation of isoxazolecarboxylic acid derivatives as agricultural fungicides.

Technology Process of N-(5-methyl-3-isoxazolyl)benzenesulfonamide

There total 3 articles about N-(5-methyl-3-isoxazolyl)benzenesulfonamide 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: 90.0%

: 1072-67-9
5-methylisoxazol-3-ylamine

: 98-09-9
benzenesulfonyl chloride

: 13053-79-7
4-amino-N-(5-methyl-3-isoxazolyl)-benzene sulfonamide

Guidance literature:: With pyridine; at 0 ℃; for 2h; Inert atmosphere;
DOI:10.1016/j.bmc.2009.09.030

Reference yield: 17.0%

: 1072-67-9
5-methylisoxazol-3-ylamine

: 108-98-5
thiophenol

: 13053-79-7
4-amino-N-(5-methyl-3-isoxazolyl)-benzene sulfonamide

Guidance literature:: With pyridine; hydrogenchloride; tetramethylammonium tetrafluoroborate; In water; acetonitrile; at 20 ℃; for 0.0833333h; Electrochemical reaction;
DOI:10.1021/jacs.9b02266 DOI:10.1021/jacs.9b02266