10H-Phenothiazine, 10-((5-(4-(dimethylamino)phenyl)-4,5-dihydro-3-(4-nitrophenyl)-1H-pyrazol-1-yl)acetyl)-

Base Information

• Chemical Name: 10H-Phenothiazine, 10-((5-(4-(dimethylamino)phenyl)-4,5-dihydro-3-(4-nitrophenyl)-1H-pyrazol-1-yl)acetyl)-
• CAS No.: 78807-72-4
• Molecular Formula: C₃₁H₂₇N₅O₃S
• Molecular Weight: 549.653
• DSSTox Substance ID: DTXSID201000041
• Mol file: 78807-72-4.mol

Synonyms:78807-72-4;10H-Phenothiazine, 10-((5-(4-(dimethylamino)phenyl)-4,5-dihydro-3-(4-nitrophenyl)-1H-pyrazol-1-yl)acetyl)-;DTXSID201000041;LS-105486;2-{5-[4-(DIMETHYLAMINO)PHENYL]-3-(4-NITROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-1-YL}-1-(10H-PHENOTHIAZIN-10-YL)ETHAN-1-ONE

Chemical Property of 10H-Phenothiazine, 10-((5-(4-(dimethylamino)phenyl)-4,5-dihydro-3-(4-nitrophenyl)-1H-pyrazol-1-yl)acetyl)-

Chemical Property:

• Vapor Pressure: 7.04E-25mmHg at 25°C
• Boiling Point: 789.2°Cat760mmHg
• Flash Point: 431.1°C
• Density: 1.33g/cm³
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 549.18346091
• Heavy Atom Count: 40
• Complexity: 918

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1=CC=C(C=C1)C2CC(=NN2CC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC=C(C=C6)[N+](=O)[O-]

Technology Process of 10H-Phenothiazine, 10-((5-(4-(dimethylamino)phenyl)-4,5-dihydro-3-(4-nitrophenyl)-1H-pyrazol-1-yl)acetyl)-

There total 5 articles about 10H-Phenothiazine, 10-((5-(4-(dimethylamino)phenyl)-4,5-dihydro-3-(4-nitrophenyl)-1H-pyrazol-1-yl)acetyl)- 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) + (E)-1-(4-(dimethylamino)phenyl)-3-(4-nitrophenyl)prop-2-en-1-one (1234-17-9) → 2-[5-(4-Dimethylamino-phenyl)-3-(4-nitro-phenyl)-4,5-dihydro-pyrazol-1-yl]-1-phenothiazin-10-yl-ethanone (78807-72-4)

Guidance literature:

In acetic acid; for 5h; Heating;

Reference yield:

10H-phenothiazine (92-84-2) → 2-[5-(4-Dimethylamino-phenyl)-3-(4-nitro-phenyl)-4,5-dihydro-pyrazol-1-yl]-1-phenothiazin-10-yl-ethanone (78807-72-4)

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-(4-Dimethylamino-phenyl)-3-(4-nitro-phenyl)-4,5-dihydro-pyrazol-1-yl]-1-phenothiazin-10-yl-ethanone (78807-72-4)

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

(E)-1-(4-(dimethylamino)phenyl)-3-(4-nitrophenyl)prop-2-en-1-one

10H-phenothiazine

10-chloroacetylphenothiazine