11H-1,3-Dioxolo(4,5-h)imidazo(2,1-c)(1,4)benzodiazepine

Base Information

• Chemical Name: 11H-1,3-Dioxolo(4,5-h)imidazo(2,1-c)(1,4)benzodiazepine
• CAS No.: 98234-94-7
• Molecular Formula: C₁₂H₉N₃O₂
• Molecular Weight: 227.222
• DSSTox Substance ID: DTXSID50243521
• Mol file: 98234-94-7.mol

Synonyms:11H-1,3-Dioxolo(4,5-h)imidazo(2,1-c)(1,4)benzodiazepine;98234-94-7;DTXSID50243521;LS-62690

Chemical Property of 11H-1,3-Dioxolo(4,5-h)imidazo(2,1-c)(1,4)benzodiazepine

Chemical Property:

• Vapor Pressure: 2.05E-10mmHg at 25°C
• Boiling Point: 507.3°Cat760mmHg
• Flash Point: 260.6°C
• Density: 1.56g/cm³
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 227.069476538
• Heavy Atom Count: 17
• Complexity: 336

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=CC3=C(C=C2N=CC4=NC=CN41)OCO3

Technology Process of 11H-1,3-Dioxolo(4,5-h)imidazo(2,1-c)(1,4)benzodiazepine

There total 4 articles about 11H-1,3-Dioxolo(4,5-h)imidazo(2,1-c)(1,4)benzodiazepine 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: 88.2%

1-(6-Nitro-benzo[1,3]dioxol-5-ylmethyl)-1H-imidazole-2-carbaldehyde (98235-08-6) → C12H9N3O2 (98234-94-7)

Guidance literature:

With ammonium hydroxide; iron(II) sulfate; In ethanol; water; at 120 ℃; for 1h;

Reference yield:

5-(chloromethyl)-6-nitrobenzo[d][1,3]dioxole (15862-98-3) → C12H9N3O2 (98234-94-7)

Guidance literature:

Multi-step reaction with 4 steps

1: 38.4 percent / Na₂CO₃ / dimethylformamide / 3 h / 125 °C

2: 39.1 percent / H₂O / 115 °C / sealed tube, overnight

3: 90.6 percent / activated MnO₂ / acetone / Ambient temperature

4: 88.2 percent / iron(II) sulphate heptahydrate, NH₄OH 32percent / ethanol; H₂O / 1 h / 120 °C

With manganese(IV) oxide; ammonium hydroxide; sodium carbonate; iron(II) sulfate; In ethanol; water; N,N-dimethyl-formamide; acetone;

Reference yield:

1-(6-Nitro-benzo[1,3]dioxol-5-ylmethyl)-1H-imidazole (98235-00-8) → C12H9N3O2 (98234-94-7)

Guidance literature:

Multi-step reaction with 3 steps

1: 39.1 percent / H₂O / 115 °C / sealed tube, overnight

2: 90.6 percent / activated MnO₂ / acetone / Ambient temperature

3: 88.2 percent / iron(II) sulphate heptahydrate, NH₄OH 32percent / ethanol; H₂O / 1 h / 120 °C

With manganese(IV) oxide; ammonium hydroxide; iron(II) sulfate; In ethanol; water; acetone;

upstream raw materials:

1-(6-Nitro-benzo[1,3]dioxol-5-ylmethyl)-1H-imidazole-2-carbaldehyde

5-(chloromethyl)-6-nitrobenzo[d][1,3]dioxole

1-(6-Nitro-benzo[1,3]dioxol-5-ylmethyl)-1H-imidazole

[1-(6-Nitro-benzo[1,3]dioxol-5-ylmethyl)-1H-imidazol-2-yl]-methanol

Downstream raw materials:

7,8-methylenedioxy-10,11-dihydro-5H-imidazo-[2,1-c][1,4]benzodiazepine

Refernces