3-Methoxy-4-phenyl-2-(2H-tetrazol-5-yl)-4H-furo[3,2-b]indole

Base Information

• Chemical Name: 3-Methoxy-4-phenyl-2-(2H-tetrazol-5-yl)-4H-furo[3,2-b]indole
• CAS No.: 89224-82-8
• Molecular Formula: C18H13N5O2
• Molecular Weight: 331.334
• ChEMBL ID: CHEMBL295097
• DSSTox Substance ID: DTXSID10539199
• Wikidata: Q82414895
• Mol file: 89224-82-8.mol

Synonyms:89224-82-8;3-Methoxy-4-phenyl-2-(2H-tetrazol-5-yl)-4H-furo[3,2-b]indole;CHEMBL295097;SCHEMBL10652614;DTXSID10539199

Chemical Property of 3-Methoxy-4-phenyl-2-(2H-tetrazol-5-yl)-4H-furo[3,2-b]indole

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 331.10692467
• Heavy Atom Count: 25
• Complexity: 474

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(OC2=C1N(C3=CC=CC=C32)C4=CC=CC=C4)C5=NNN=N5

Technology Process of 3-Methoxy-4-phenyl-2-(2H-tetrazol-5-yl)-4H-furo[3,2-b]indole

There total 3 articles about 3-Methoxy-4-phenyl-2-(2H-tetrazol-5-yl)-4H-furo[3,2-b]indole 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: 29.0%

→ 1H-tetrazole (288-94-8) + 3-Methoxy-4-phenyl-2-(1H-tetrazol-5-yl)-4H-furo[3,2-b]-indole (89224-82-8)

Guidance literature:

Reference yield: 29.0%

3-methoxy-4-phenyl-4H-furo[3,2-b]indole-2-carbonitrile (89224-81-7) → 3-Methoxy-4-phenyl-2-(1H-tetrazol-5-yl)-4H-furo[3,2-b]-indole (89224-82-8)

Guidance literature:

With sodium azide; ammonium chloride; In N,N-dimethyl-formamide; for 90h; Heating;

DOI:10.1021/jm00378a017

Reference yield:

3-methoxy-4-phenyl-4H-furo<3,2-b>indole-2-carboxamide (89224-80-6) → 3-Methoxy-4-phenyl-2-(1H-tetrazol-5-yl)-4H-furo[3,2-b]-indole (89224-82-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 82 percent / pyridine, p-toluenesulfonyl chloride / dimethylformamide / 4 h / Heating

2: 29 percent / NaN₃, NH₄Cl / dimethylformamide / 90 h / Heating

With pyridine; sodium azide; ammonium chloride; p-toluenesulfonyl chloride; In N,N-dimethyl-formamide;

DOI:10.1021/jm00378a017

upstream raw materials:

3-methoxy-4-phenyl-4H-furo[3,2-b]indole-2-carbonitrile

3-methoxy-4-phenyl-4H-furo<3,2-b>indole-2-carboxamide