N-(2-Amino-4-methylphenyl)-2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonamide

Base Information

Chemical Name:N-(2-Amino-4-methylphenyl)-2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonamide
CAS No.:78633-53-1
Molecular Formula:C14H13N3O4S
Molecular Weight:0
Hs Code.:
DSSTox Substance ID:DTXSID00701904
Nikkaji Number:J395.041G
Wikidata:Q82633682
Mol file:78633-53-1.mol

Synonyms:78633-53-1;DTXSID00701904;N-106;N-(2-Amino-4-methylphenyl)-2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonamide

Suppliers and Price of N-(2-Amino-4-methylphenyl)-2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonamide

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

Tocris
N106 ≥98%(HPLC)
10
$ 221.00

Total 3 raw suppliers

Chemical Property of N-(2-Amino-4-methylphenyl)-2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonamide

Chemical Property:

PSA：126.83000
LogP:3.95980
XLogP3:1.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:319.06267708
Heavy Atom Count:22
Complexity:533

Purity/Quality:

99% ^*data from raw suppliers

N106 ≥98%(HPLC) ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC(=O)N3)N
Uses N106 is an activator of SUMO-activating enzyme, E1 ligase.

Technology Process of N-(2-Amino-4-methylphenyl)-2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonamide

There total 3 articles about N-(2-Amino-4-methylphenyl)-2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonamide 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: 93.0%

: 78633-45-1
2-Oxo-2,3-dihydro-benzooxazole-5-sulfonic acid (4-methyl-2-nitro-phenyl)-amide

: 78633-53-1
2-Oxo-2,3-dihydro-benzooxazole-5-sulfonic acid (2-amino-4-methyl-phenyl)-amide

Guidance literature:: With iron; acetic acid; In ethanol; water; for 3h; Heating;

Reference yield:

: 78633-41-7
2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonyl chloride

: 78633-53-1
2-Oxo-2,3-dihydro-benzooxazole-5-sulfonic acid (2-amino-4-methyl-phenyl)-amide

Guidance literature:: Multi-step reaction with 2 steps

1: 76 percent / 3 h / 125 - 130 °C

2: 93 percent / Fe, AcOH / ethanol; H₂O / 3 h / Heating

With iron; acetic acid; In ethanol; water;

Reference yield:

: 89-62-3
4-methyl-2-nitroaniline

: 78633-53-1
2-Oxo-2,3-dihydro-benzooxazole-5-sulfonic acid (2-amino-4-methyl-phenyl)-amide

Guidance literature:: Multi-step reaction with 2 steps

1: 76 percent / 3 h / 125 - 130 °C

2: 93 percent / Fe, AcOH / ethanol; H₂O / 3 h / Heating

With iron; acetic acid; In ethanol; water;