10-((4,5-Dihydro-5-(2-nitrophenyl)-3-phenyl-1H-pyrazol-1-yl)acetyl)-10H-phenothiazine

Base Information

• Chemical Name: 10-((4,5-Dihydro-5-(2-nitrophenyl)-3-phenyl-1H-pyrazol-1-yl)acetyl)-10H-phenothiazine
• CAS No.: 78807-66-6
• Molecular Formula: C₂₉H₂₂N₄O₃S
• Molecular Weight: 506.585
• DSSTox Substance ID: DTXSID401000035
• Mol file: 78807-66-6.mol

Synonyms:78807-66-6;10-((4,5-Dihydro-5-(2-nitrophenyl)-3-phenyl-1H-pyrazol-1-yl)acetyl)-10H-phenothiazine;10H-Phenothiazine, 10-((4,5-dihydro-5-(2-nitrophenyl)-3-phenyl-1H-pyrazol-1-yl)acetyl)-;2-(5-(2-Nitrophenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-1-(10H-phenothiazin-10-yl)ethanone;C29H22N4O3S;DTXSID401000035;LS-105459;2-[5-(2-Nitrophenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-1-(10H-phenothiazin-10-yl)ethan-1-one

Chemical Property of 10-((4,5-Dihydro-5-(2-nitrophenyl)-3-phenyl-1H-pyrazol-1-yl)acetyl)-10H-phenothiazine

Chemical Property:

• Vapor Pressure: 8.52E-22mmHg at 25°C
• Boiling Point: 740.5°C at 760 mmHg
• Flash Point: 401.6°C
• PSA: 107.03000
• Density: 1.36g/cm³
• LogP: 6.53710
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 506.14126175
• Heavy Atom Count: 37
• Complexity: 850

Purity/Quality:

10-((4,5-DIHYDRO-5-(2-NITROPHENYL)-3-PHENYL-1H-PYRAZOL-1-YL)ACETYL)-10 H-PHENOTHIAZINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(N(N=C1C2=CC=CC=C2)CC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC=CC=C6[N+](=O)[O-]

Technology Process of 10-((4,5-Dihydro-5-(2-nitrophenyl)-3-phenyl-1H-pyrazol-1-yl)acetyl)-10H-phenothiazine

There total 5 articles about 10-((4,5-Dihydro-5-(2-nitrophenyl)-3-phenyl-1H-pyrazol-1-yl)acetyl)-10H-phenothiazine 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: 80.0%

10-(hydrazinoacetyl)-10H-phenothiazine (54012-74-7) + (2E)-1-(2-nitrophenyl)-3-phenyl-2-propen-1-one (53744-32-4) → 2-[5-(2-Nitro-phenyl)-3-phenyl-4,5-dihydro-pyrazol-1-yl]-1-phenothiazin-10-yl-ethanone (78807-66-6)

Guidance literature:

In acetic acid; for 5h; Heating;

Reference yield:

10H-phenothiazine (92-84-2) → 2-[5-(2-Nitro-phenyl)-3-phenyl-4,5-dihydro-pyrazol-1-yl]-1-phenothiazin-10-yl-ethanone (78807-66-6)

Guidance literature:

Multi-step reaction with 3 steps

2: N₂H₄*H₂O

3: 80 percent / acetic acid / 5 h / Heating

With hydrazine hydrate; In acetic acid;

Reference yield:

10-chloroacetylphenothiazine (786-50-5) → 2-[5-(2-Nitro-phenyl)-3-phenyl-4,5-dihydro-pyrazol-1-yl]-1-phenothiazin-10-yl-ethanone (78807-66-6)

Guidance literature:

Multi-step reaction with 2 steps

1: N₂H₄*H₂O

2: 80 percent / acetic acid / 5 h / Heating

With hydrazine hydrate; In acetic acid;

upstream raw materials:

10-(hydrazinoacetyl)-10H-phenothiazine

(2E)-1-(2-nitrophenyl)-3-phenyl-2-propen-1-one

2-acetylnitrobenzene

10H-phenothiazine