1-(4-Aminophenyl)-7,8-dimethoxy-3,5-dihydro-2,3-benzodiazepin-4-one

Base Information

• Chemical Name: 1-(4-Aminophenyl)-7,8-dimethoxy-3,5-dihydro-2,3-benzodiazepin-4-one
• CAS No.: 178616-26-7
• Molecular Formula: C17H17 N3 O3
• Molecular Weight: 311.34
• DSSTox Substance ID: DTXSID10402591
• Nikkaji Number: J829.032F
• Wikidata: Q27185961
• ChEMBL ID: CHEMBL279218
• Mol file: 178616-26-7.mol

Synonyms:1-(4'-aminophenyl)--3,5-dihydro-7,8-dimethoxy-4H-2,3-benzodiazepin-4-one;CFM 2;CFM-2

Chemical Property of 1-(4-Aminophenyl)-7,8-dimethoxy-3,5-dihydro-2,3-benzodiazepin-4-one

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 85.94000
• Density: 1.32g/cm³
• LogP: 2.05630
• Storage Temp.: Store at RT
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 311.12699141
• Heavy Atom Count: 23
• Complexity: 460

Purity/Quality:

97% ^*data from raw suppliers

CFM-2 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C2C(=C1)CC(=O)NN=C2C3=CC=C(C=C3)N)OC
• Uses: CFM-2 is a non-competitive antagonist of the AMPA receptors.

Technology Process of 1-(4-Aminophenyl)-7,8-dimethoxy-3,5-dihydro-2,3-benzodiazepin-4-one

There total 6 articles about 1-(4-Aminophenyl)-7,8-dimethoxy-3,5-dihydro-2,3-benzodiazepin-4-one 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: 59.0%

7,8-Dimethoxy-1-(4-nitro-phenyl)-3,5-dihydro-benzo[d][1,2]diazepin-4-one (187940-12-1) → 1-(4-Amino-phenyl)-7,8-dimethoxy-3,5-dihydro-benzo[d][1,2]diazepin-4-one (178616-26-7)

Guidance literature:

With hydrogenchloride; tin; for 1h; Heating;

DOI:10.1021/jm960506l

Reference yield:

[4,5-Dimethoxy-2-(4-nitro-benzoyl)-phenyl]-acetic acid (187940-06-3) → 1-(4-Amino-phenyl)-7,8-dimethoxy-3,5-dihydro-benzo[d][1,2]diazepin-4-one (178616-26-7)

Guidance literature:

Multi-step reaction with 2 steps

1: NH₂NH₂*H₂O / ethanol / Heating

2: Sn; aq. HCl / 1 h / Heating

With hydrogenchloride; tin; hydrazine hydrate; In ethanol;

DOI:10.1016/S0014-827X(01)01186-7

Reference yield:

2-(3,4-dimethoxyphenyl)ethyl alcohol (7417-21-2) → 1-(4-Amino-phenyl)-7,8-dimethoxy-3,5-dihydro-benzo[d][1,2]diazepin-4-one (178616-26-7)

Guidance literature:

Multi-step reaction with 4 steps

1: HCl / dioxane / 1 h / Heating

2: CrO₃; H₂SO₄ / acetone; H₂O / 5 °C

3: NH₂NH₂*H₂O / ethanol / Heating

4: Sn; aq. HCl / 1 h / Heating

With chromium(VI) oxide; hydrogenchloride; tin; sulfuric acid; hydrazine hydrate; In 1,4-dioxane; ethanol; water; acetone;

DOI:10.1016/S0014-827X(01)01186-7

upstream raw materials:

7,8-Dimethoxy-1-(4-nitro-phenyl)-3,5-dihydro-benzo[d][1,2]diazepin-4-one

4-nitrobenzaldehdye

3,4-dihydro-6,7-dimethoxy-1-(4-nitrophenyl)-1H-isochromene

[4,5-Dimethoxy-2-(4-nitro-benzoyl)-phenyl]-acetic acid

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