2,1,3-Benzoxadiazol-5-aMine, N-(3-chloro-5-fluorophenyl)-4-nitro-

Base Information

• Chemical Name: 2,1,3-Benzoxadiazol-5-aMine, N-(3-chloro-5-fluorophenyl)-4-nitro-
• CAS No.: 1422955-31-4
• Molecular Formula: C12H6ClFN4O3
• Molecular Weight: 308.656
• Mol file: 1422955-31-4.mol

Synonyms:2,1,3-Benzoxadiazol-5-aMine, N-(3-chloro-5-fluorophenyl)-4-nitro-;HIF-C2;HIF-2 Antagonist 2;N-(3-Chloro-5-fluorophenyl)-4-nitrobenzo[c][1,2,5]oxadiazol-5-amine;HIF-2 inhibitor 2

Chemical Property of 2,1,3-Benzoxadiazol-5-aMine, N-(3-chloro-5-fluorophenyl)-4-nitro-

Chemical Property:

• PSA: 96.77000
• LogP: 4.26330
• Storage Temp.: room temp
• Solubility.: DMSO: soluble15mg/mL, clear

Purity/Quality:

≥95% ^*data from raw suppliers

TC-S 7009 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Description: HIF-2α-I2 (1422955-31-4) is a potent and selective HIF-2α inhibitor, Kd=81 nM.1?Binds to the HIF-2α PAS-B domain2?and interferes with Hif-2α / ARNT heterodimerization reducing target gene expression in a cellular model1. Highly selective for HIF-2α displaying a >60-fold selectivity over HIF-1α.1,2

Technology Process of 2,1,3-Benzoxadiazol-5-aMine, N-(3-chloro-5-fluorophenyl)-4-nitro-

There total 1 articles about 2,1,3-Benzoxadiazol-5-aMine, N-(3-chloro-5-fluorophenyl)-4-nitro- 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: 81.0%

3-chloro-5-fluoroaniline (4863-91-6) + 5-chloro-4-nitrobenzo[c]-[1,2,5]oxadiazole (5714-17-0) → N-(3-chloro-5-fluorophenyl)-4-nitrobenzo[c][1,2,5]oxadiazol-5-amine (1422955-31-4)

Guidance literature:

In N,N-dimethyl-formamide; at 90 ℃; for 3h; Inert atmosphere;

DOI:10.1021/jm301847z

Reference yield: 70.0%

N-(3-chloro-5-fluorophenyl)-4-nitrobenzo[c][1,2,5]oxadiazol-5-amine (1422955-31-4) → C12H8ClFN4O (1422955-40-5)

Guidance literature:

With tin(II) chloride dihdyrate; In ethanol; at 75 ℃; for 4h; Inert atmosphere;

DOI:10.1021/jm301847z

Reference yield:

N-(3-chloro-5-fluorophenyl)-4-nitrobenzo[c][1,2,5]oxadiazol-5-amine (1422955-31-4) → C14H10ClFN4O2 (1422955-41-6)

Guidance literature:

Multi-step reaction with 2 steps

1: tin(II) chloride dihdyrate / ethanol / 4 h / 75 °C / Inert atmosphere

2: acetic acid / 19 h / 20 °C / Inert atmosphere

With tin(II) chloride dihdyrate; acetic acid; In ethanol;

DOI:10.1021/jm301847z

upstream raw materials:

3-chloro-5-fluoroaniline

5-chloro-4-nitrobenzo[c]-[1,2,5]oxadiazole

Downstream raw materials:

C₁₂H₈ClFN₄O

C₁₄H₁₀ClFN₄O₂

C₁₄H₉Cl₂FN₄O₂

C₁₆H₈ClFN₄O₃