4-(7-Bromo-4-chloro-1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine

Base Information

• Chemical Name: 4-(7-Bromo-4-chloro-1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine
• CAS No.: 842144-07-4
• Molecular Formula: C₁₀H₈BrClN₆O
• Molecular Weight: 343.57
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID60461436
• Wikidata: Q82285779
• Mol file: 842144-07-4.mol

Synonyms:842144-07-4;4-(7-Bromo-4-chloro-1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine;4-(7-bromo-4-chloro-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine;4-(7-Bromo-4-chloro-1-ethyl-1H-imidazo-[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine;SCHEMBL690731;DTXSID60461436;ZMHOMFQFFLYGJX-UHFFFAOYSA-N;CS-M0501;AKOS016007136;1,2,5-Oxadiazol-3-amine, 4-(7-bromo-4-chloro-1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl)-;CS-14479;FT-0764788

Chemical Property of 4-(7-Bromo-4-chloro-1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine

Chemical Property:

• Boiling Point: 549.5±60.0 °C(Predicted)
• PKA: -1.09±0.47(Predicted)
• PSA: 95.65000
• Density: 2.12±0.1 g/cm3(Predicted)
• LogP: 3.08050
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 341.96315
• Heavy Atom Count: 19
• Complexity: 339

Purity/Quality:

≥95% ^*data from raw suppliers

4-(7-Bromo-4-chloro-1-ethyl-1H-imidazo-[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C2=C(C(=NC=C2Br)Cl)N=C1C3=NON=C3N

Technology Process of 4-(7-Bromo-4-chloro-1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine

There total 8 articles about 4-(7-Bromo-4-chloro-1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-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: 70.0%

(7-bromo-4-chloro-1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl)-hydroxyimino-acetonitrile → 4-(7-bromo-4-chloro-1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-ylamine (842144-07-4)

Guidance literature:

With hydroxylamine; triethylamine; In 1,4-dioxane; for 6h; Heating / reflux;

Reference yield: 51.7%

(7-bromo-4-chloro-1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl)hydroxyiminoacetonitrile (842144-06-3) → 4-(7-bromo-4-chloro-1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-ylamine (842144-07-4)

Guidance literature:

(7-bromo-4-chloro-1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl)hydroxyiminoacetonitrile; With hydroxylamine; triethylamine; In tetrahydrofuran; water; at 90 ℃; for 1.5h;

With triethylamine; In 1,4-dioxane; at 150 ℃; for 1.5h;

DOI:10.1021/jm8004527

Reference yield:

C10H10BrClN6O2 → 4-(7-bromo-4-chloro-1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-ylamine (842144-07-4)

Guidance literature:

With triethylamine; In 1,4-dioxane; at 150 ℃; for 1.5h;

upstream raw materials:

(7-bromo-4-chloro-1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl)hydroxyiminoacetonitrile

ethyl-(3-bromo-5-nitropyridin-4-yl)amine

5-bromo-2-chloro-N₄-ethylpyridine-3,4-diamine

N-[5-romo-2-chloro-4-(ethylamino)-3-pyridinyl]-2-cyanoacetamide

Downstream raw materials:

2-(4-amino-1,2,5-oxadiazol-3-yl)-4-chloro-1-ethyl-1H-imidazo[4,5-c]pyridin-7-ol

1,1-dimethylethyl [4-(7-bromo-4-chloro-1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-yl]carbamate