2H-Pyrazolo(4,3-c)quinoline, 3,3a,4,5-tetrahydro-2-acetyl-8-methoxy-5-((4-methylphenyl)sulfonyl)-3-phenyl-, cis-

Base Information

• Chemical Name: 2H-Pyrazolo(4,3-c)quinoline, 3,3a,4,5-tetrahydro-2-acetyl-8-methoxy-5-((4-methylphenyl)sulfonyl)-3-phenyl-, cis-
• CAS No.: 76263-73-5
• Molecular Formula: C₂₆H₂₅N₃O₄S
• Molecular Weight: 475.568
• DSSTox Substance ID: DTXSID50227124
• Mol file: 76263-73-5.mol

Synonyms:2H-Pyrazolo(4,3-c)quinoline, 3,3a,4,5-tetrahydro-2-acetyl-8-methoxy-5-((4-methylphenyl)sulfonyl)-3-phenyl-, cis-;76263-73-5;C26-H25-N3-O4-S;C26H25N3O4S;DTXSID50227124;LS-129343

Chemical Property of 2H-Pyrazolo(4,3-c)quinoline, 3,3a,4,5-tetrahydro-2-acetyl-8-methoxy-5-((4-methylphenyl)sulfonyl)-3-phenyl-, cis-

Chemical Property:

• Vapor Pressure: 1.63E-17mmHg at 25°C
• Boiling Point: 664.3°C at 760 mmHg
• Flash Point: 355.5°C
• Density: 1.33g/cm³
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 475.15657746
• Heavy Atom Count: 34
• Complexity: 886

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CC3C(N(N=C3C4=C2C=CC(=C4)OC)C(=O)C)C5=CC=CC=C5
• Isomeric SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H]3[C@H](N(N=C3C4=C2C=CC(=C4)OC)C(=O)C)C5=CC=CC=C5

Technology Process of 2H-Pyrazolo(4,3-c)quinoline, 3,3a,4,5-tetrahydro-2-acetyl-8-methoxy-5-((4-methylphenyl)sulfonyl)-3-phenyl-, cis-

There total 7 articles about 2H-Pyrazolo(4,3-c)quinoline, 3,3a,4,5-tetrahydro-2-acetyl-8-methoxy-5-((4-methylphenyl)sulfonyl)-3-phenyl-, cis- 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: 97.0%

6-Methoxy-3-[1-phenyl-meth-(E)-ylidene]-1-(toluene-4-sulfonyl)-2,3-dihydro-1H-quinolin-4-one (76263-68-8) → 1-[(3S,3aR)-8-Methoxy-3-phenyl-5-(toluene-4-sulfonyl)-3,3a,4,5-tetrahydro-pyrazolo[4,3-c]quinolin-2-yl]-ethanone (76263-73-5,78431-45-5)

Guidance literature:

With hydrazine hydrate; In acetic acid; for 8h; Heating;

Reference yield:

N-tosyl-6-methoxy-2,3-dihydroquinolin-4-one (75227-41-7) → 1-[(3S,3aR)-8-Methoxy-3-phenyl-5-(toluene-4-sulfonyl)-3,3a,4,5-tetrahydro-pyrazolo[4,3-c]quinolin-2-yl]-ethanone (76263-73-5,78431-45-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 91 percent / NaOCH₃ / methanol / 4 h / Ambient temperature

2: 97 percent / NH₂NH₂*H₂O / acetic acid / 8 h / Heating

With sodium methylate; hydrazine hydrate; In methanol; acetic acid;

Reference yield:

ethyl 3?((4?methoxyphenyl)amino)propanoate (63767-58-8) → 1-[(3S,3aR)-8-Methoxy-3-phenyl-5-(toluene-4-sulfonyl)-3,3a,4,5-tetrahydro-pyrazolo[4,3-c]quinolin-2-yl]-ethanone (76263-73-5,78431-45-5)

Guidance literature:

Multi-step reaction with 6 steps

1: pyridine

2: KOH / methanol; H₂O / 16 h / Ambient temperature

3: PCl₅

4: SnCl₄

5: 91 percent / NaOCH₃ / methanol / 4 h / Ambient temperature

6: 97 percent / NH₂NH₂*H₂O / acetic acid / 8 h / Heating

With pyridine; potassium hydroxide; phosphorus pentachloride; sodium methylate; tin(IV) chloride; hydrazine hydrate; In methanol; water; acetic acid;

upstream raw materials:

6-Methoxy-3-[1-phenyl-meth-(E)-ylidene]-1-(toluene-4-sulfonyl)-2,3-dihydro-1H-quinolin-4-one

N-tosyl-6-methoxy-2,3-dihydroquinolin-4-one

ethyl 3?((4?methoxyphenyl)amino)propanoate

3-[N-(4-methoxyphenyl)(p-toluene)sulfonamido]propanoic acid