4-(5-Methyl-3-phenylisoxazol-4-yl)benzene-1-sulfonyl chloride

Base Information Edit

Chemical Name:4-(5-Methyl-3-phenylisoxazol-4-yl)benzene-1-sulfonyl chloride
CAS No.:509074-26-4
Molecular Formula:C16H12ClNO3S
Molecular Weight:333.795
Hs Code.:
DSSTox Substance ID:DTXSID80432269
Nikkaji Number:J3.042.956G
Wikidata:Q72494931
Mol file:509074-26-4.mol

Synonyms:509074-26-4;4-(5-Methyl-3-phenylisoxazol-4-yl)benzene-1-sulfonyl chloride;Valdecoxib Impurity F;4-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonyl Chloride;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonyl Chloride;4-(5-Methyl-3-phenylisoxazol-4-yl)benzenesulfonyl chloride;Benzenesulfonyl chloride, 4-(5-methyl-3-phenyl-4-isoxazolyl)-;MFCD26385552;ValdecoxibSulfonylChloride-13C2,15N;1391051-92-5;4-(5-Methyl-3-phenylisoxazol-4-yl)benzenesulfonyl Chloride (Valdecoxib Sulfonyl Chloride);Valdecoxib Sulfonyl Chloride;4-(5-Methyl-3-phenyl-4-isoxazolyl)-benzenesulfonyl Chloride;4-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonyl chloride;C16H12ClNO3S;SCHEMBL5422595;DTXSID80432269;NVKQPOHDVWNXRP-UHFFFAOYSA-N;AMY42128;BCP20153;AKOS024463982;DS-7811;AC-29985;SY111925;CS-0186875;FT-0675757;A871425;3-phenyl-4-(4-chlorosulfonyl-phenyl)-5-methyl-isoxazole;4-(5-methyl-3-phenyl-4-isoxazolyl) benzene sulfonyl chloride;4-(5-Methyl-3-phenylisoxazol-4-yl)benzene-1-sulfonylchloride;4-(3-Phenyl-5-methylisoxazole-4-yl)benzenesulfonic acid chloride;4-(5-Methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sulfonyl chloride

Suppliers and Price of 4-(5-Methyl-3-phenylisoxazol-4-yl)benzene-1-sulfonyl chloride

Supply Marketing:Edit

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
ValdecoxibSulfonylChloride
5g
$ 460.00

Medical Isotopes, Inc.
ValdecoxibSulfonylChloride
100 mg
$ 660.00

Crysdot
4-(5-Methyl-3-phenylisoxazol-4-yl)benzene-1-sulfonylchloride 95+%
10g
$ 317.00

Chemenu
4-(5-Methyl-3-phenylisoxazol-4-yl)benzene-1-sulfonylchloride 95%
10g
$ 299.00

Chemenu
4-(5-Methyl-3-phenylisoxazol-4-yl)benzene-1-sulfonylchloride 95%
5g
$ 196.00

Ambeed
4-(5-Methyl-3-phenylisoxazol-4-yl)benzene-1-sulfonylchloride 97%
10g
$ 163.00

Ambeed
4-(5-Methyl-3-phenylisoxazol-4-yl)benzene-1-sulfonylchloride 97%
5g
$ 102.00

Ambeed
4-(5-Methyl-3-phenylisoxazol-4-yl)benzene-1-sulfonylchloride 97%
1g
$ 34.00

Ambeed
4-(5-Methyl-3-phenylisoxazol-4-yl)benzene-1-sulfonylchloride 97%
250mg
$ 15.00

Alichem
4-(5-Methyl-3-phenylisoxazol-4-yl)benzene-1-sulfonylchloride
10g
$ 450.00

Total 38 raw suppliers

Chemical Property of 4-(5-Methyl-3-phenylisoxazol-4-yl)benzene-1-sulfonyl chloride Edit

Chemical Property:

Melting Point:108-109°C
Boiling Point:440.6±45.0 °C(Predicted)
PKA:-3.74±0.50(Predicted)
PSA：68.55000
Density:1.340±0.06 g/cm3(Predicted)
LogP:5.32530
Storage Temp.:under inert gas (nitrogen or Argon) at 2-8°C
Solubility.:Benzene (Slightly), DMSO (Slightly)
XLogP3:4.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:333.0226421
Heavy Atom Count:22
Complexity:464

Purity/Quality:

98%,99%, ^*data from raw suppliers

ValdecoxibSulfonylChloride ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)Cl
Uses Valdecoxib Sulfonyl Chloride is an impurity in the preparation of the cyclooxygenase-2 inhibitor, Valdecoxib (V090000) and its metabolites.

Technology Process of 4-(5-Methyl-3-phenylisoxazol-4-yl)benzene-1-sulfonyl chloride

There total 15 articles about 4-(5-Methyl-3-phenylisoxazol-4-yl)benzene-1-sulfonyl chloride 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: 90.8%