2-(5-((3-methyloxetan-3-yl)methoxy)-1H-benzo[d]imidazol-1-yl)quinolin-8-ol

Base Information

• Chemical Name: 2-(5-((3-methyloxetan-3-yl)methoxy)-1H-benzo[d]imidazol-1-yl)quinolin-8-ol
• CAS No.: 816463-38-4
• Molecular Formula: C₂₁H₁₉N₃O₃
• Molecular Weight: 361.4
• DSSTox Substance ID: DTXSID901154300
• Mol file: 816463-38-4.mol

Synonyms:816463-38-4;2-(5-((3-methyloxetan-3-yl)methoxy)-1H-benzo[d]imidazol-1-yl)quinolin-8-ol;2-[5-[(3-Methyl-3-oxetanyl)methoxy]-1-benzimidazolyl]-8-quinolinol;2-{5-[(3-methyloxetan-3-yl)methoxy]-1H-1,3-benzodiazol-1-yl}quinolin-8-ol;SCHEMBL4681767;KOHFPNHJRQSOFQ-UHFFFAOYSA-N;DTXSID901154300;MFCD31699916;SY237887;CS-0197440;N13357;A922800;2-[5-(3-Methyl-oxetan-3-ylmethoxy)-benzoimidazol-1-yl]-quinolin-8-ol;2-[5-[(3-Methyl-3-oxetanyl)methoxy]-1H-benzimidazol-1-yl]-8-quinolinol;2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol-1-yl]quinolin-8-ol

Chemical Property of 2-(5-((3-methyloxetan-3-yl)methoxy)-1H-benzo[d]imidazol-1-yl)quinolin-8-ol

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 361.14264148
• Heavy Atom Count: 27
• Complexity: 529

Purity/Quality:

97% ^*data from raw suppliers

2-[5-[(3-Methyloxetan-3-yl)methoxy]benzimidazol-1-yl]quinolin-8-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(COC1)COC2=CC3=C(C=C2)N(C=N3)C4=NC5=C(C=CC=C5O)C=C4

Technology Process of 2-(5-((3-methyloxetan-3-yl)methoxy)-1H-benzo[d]imidazol-1-yl)quinolin-8-ol

There total 6 articles about 2-(5-((3-methyloxetan-3-yl)methoxy)-1H-benzo[d]imidazol-1-yl)quinolin-8-ol 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: 82.0%

C20H21N3O3 + formamidine acetic acid (3473-63-0) → 2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol-1-yl]quinolin-8-ol (816463-38-4)

Guidance literature:

In ethanol; for 8h; Heating / reflux;

Reference yield:

formic acid (64-18-6) + C20H21N3O3 → 2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol-1-yl]quinolin-8-ol (816463-38-4)

Guidance literature:

With trimethyl orthoformate; at 100 ℃; for 1h;

Reference yield:

(8-benzyloxyquinolin-2-yl)(4-(3-methyloxetan-3-ylmethoxy)-2-nitrophenyl)amine → 2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol-1-yl]quinolin-8-ol (816463-38-4)

Guidance literature:

Multi-step reaction with 2 steps

1: palladium 10% on activated carbon; hydrogen / methanol / 12 h / 55 °C / 775.74 Torr

2: trimethyl orthoformate / 1 h / 100 °C

With palladium 10% on activated carbon; hydrogen; trimethyl orthoformate; In methanol;

upstream raw materials:

formamidine acetic acid

formic acid

8-(benzyloxy)quinolin-2-ol

quinoline-2,8-diol