4-nitro-N-(2-phenylphenyl)-2,1,3-benzoxadiazol-7-amine

Base Information

Chemical Name:4-nitro-N-(2-phenylphenyl)-2,1,3-benzoxadiazol-7-amine
CAS No.:413611-93-5
Molecular Formula:C18H12N4O3
Molecular Weight:332.318
Hs Code.:
European Community (EC) Number:686-939-2
DSSTox Substance ID:DTXSID60385481
ChEMBL ID:CHEMBL2312756
Mol file:413611-93-5.mol

Synonyms:10074-G5

Suppliers and Price of 4-nitro-N-(2-phenylphenyl)-2,1,3-benzoxadiazol-7-amine

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-[1,1''-Biphenyl]-2-yl-7-nitro-2,1,3-benzoxadiazol-4-amine
25mg
$ 460.00

Sigma-Aldrich
10074-G5 ≥98% (HPLC)
5mg
$ 101.00

Sigma-Aldrich
c-Myc Inhibitor II
10mg
$ 97.12

Sigma-Aldrich
10074-G5 ≥98% (HPLC)
25mg
$ 412.00

DC Chemicals
10074-G5 >98%
1 g
$ 1200.00

DC Chemicals
10074-G5 >98%
250 mg
$ 600.00

DC Chemicals
10074-G5 >98%
100 mg
$ 320.00

Crysdot
10074-G5 98+%
50mg
$ 144.00

Crysdot
10074-G5 98+%
10mg
$ 54.00

Crysdot
10074-G5 98+%
100mg
$ 282.00

Total 14 raw suppliers

Chemical Property of 4-nitro-N-(2-phenylphenyl)-2,1,3-benzoxadiazol-7-amine

Chemical Property:

Boiling Point:538.6±60.0 °C(Predicted)
PKA:-2.06±0.50(Predicted)
PSA：96.77000
Density:1.408±0.06 g/cm3(Predicted)
LogP:5.13780
Storage Temp.:room temp
Solubility.:DMSO: >10mg/mL
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:332.09094026
Heavy Atom Count:25
Complexity:466

Purity/Quality:

99%, ^*data from raw suppliers

N-[1,1''-Biphenyl]-2-yl-7-nitro-2,1,3-benzoxadiazol-4-amine ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:T
Statements: 25-36/37/38
Safety Statements: 26-45

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C2=CC=CC=C2NC3=CC=C(C4=NON=C34)[N+](=O)[O-]
Uses N-[1,1''-Biphenyl]-2-yl-7-nitro-2,1,3-benzoxadiazol-4-amine is a c-Myc inhibitor that suppresses its transcriptional activity.c-Myc is an oncoprotein often found overexpressed in various tumors.

Technology Process of 4-nitro-N-(2-phenylphenyl)-2,1,3-benzoxadiazol-7-amine

There total 1 articles about 4-nitro-N-(2-phenylphenyl)-2,1,3-benzoxadiazol-7-amine 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%

: 90-41-5
2-phenylaniline

: 10199-89-0
NBD chloride

: 413611-93-5
N-([1,1'-biphenyl]-2-yl)-7-nitrobenzo[c][1,2,5]oxadiazol-4-amine

Guidance literature:: With tertiary amine; In acetonitrile; for 16h; Reflux; Inert atmosphere;
DOI:10.1016/j.bmcl.2012.10.013

Reference yield: 76.0%

: 413611-93-5
N-([1,1'-biphenyl]-2-yl)-7-nitrobenzo[c][1,2,5]oxadiazol-4-amine

: 1416316-21-6
N-4-[(1,1'-biphenyl)-2-yl]benzo[c][1,2,5]oxadiazole-4,7-diamine

Guidance literature:: With palladium 10% on activated carbon; hydrogen; In tetrahydrofuran; methanol; at 20 ℃; for 16h;
DOI:10.1016/j.bmcl.2012.10.013

Reference yield:

: 413611-93-5
N-([1,1'-biphenyl]-2-yl)-7-nitrobenzo[c][1,2,5]oxadiazol-4-amine

: 1333112-79-0
N-(7-([1,1'-biphenyl]-2-ylamino)benzo[c][1,2,5]oxadiazol-4-yl)acetamide

Guidance literature:: Multi-step reaction with 2 steps

1: palladium 10% on activated carbon; hydrogen / methanol; tetrahydrofuran / 16 h / 20 °C

2: triethylamine / dichloromethane / 16 h / 0 - 20 °C

With palladium 10% on activated carbon; hydrogen; triethylamine; In tetrahydrofuran; methanol; dichloromethane;
DOI:10.1016/j.bmcl.2012.10.013