cis-3,3a,4,5-Tetrahydro-2-acetyl-7-methoxy-3-phenyl-2H-benz(g)indazole

Base Information

• Chemical Name: cis-3,3a,4,5-Tetrahydro-2-acetyl-7-methoxy-3-phenyl-2H-benz(g)indazole
• CAS No.: 78431-42-2
• Molecular Formula: C₂₀H₂₀N₂O₂
• Molecular Weight: 320.391
• DSSTox Substance ID: DTXSID40999762
• Wikidata: Q82993025
• Mol file: 78431-42-2.mol

Synonyms:78431-42-2;DTXSID40999762;2H-Benz(g)indazole, 3,3a,4,5-tetrahydro-2-acetyl-7-methoxy-3-phenyl-, cis-;cis-3,3a,4,5-Tetrahydro-2-acetyl-7-methoxy-3-phenyl-2H-benz(g)indazole;1-(7-Methoxy-3-phenyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-yl)ethan-1-one

Chemical Property of cis-3,3a,4,5-Tetrahydro-2-acetyl-7-methoxy-3-phenyl-2H-benz(g)indazole

Chemical Property:

• Vapor Pressure: 7.33E-10mmHg at 25°C
• Boiling Point: 493°Cat760mmHg
• Flash Point: 251.9°C
• Density: 1.24g/cm³
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 320.152477885
• Heavy Atom Count: 24
• Complexity: 512

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)N1C(C2CCC3=C(C2=N1)C=CC(=C3)OC)C4=CC=CC=C4
• Isomeric SMILES: CC(=O)N1[C@@H]([C@H]2CCC3=C(C2=N1)C=CC(=C3)OC)C4=CC=CC=C4

Technology Process of cis-3,3a,4,5-Tetrahydro-2-acetyl-7-methoxy-3-phenyl-2H-benz(g)indazole

There total 2 articles about cis-3,3a,4,5-Tetrahydro-2-acetyl-7-methoxy-3-phenyl-2H-benz(g)indazole 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:

(E)-2-benzylidene-6-methoxy-3,4-dihydronaphthalen-1(2H)-one (50558-94-6) + acetic acid (64-19-7,77671-22-8) → 3,3a-trans-2(H)-acetyl-7-methoxy-3-phenyl-3,3a,4,5-tetrahydropyrazolo<3,4-a>naphthalene (78431-42-2,78439-95-9) + 3,3a-cis-2(H)-acetyl-7-methoxy-3-phenyl-3,3a,4,5-tetrahydropyrazolo<3,4-a>naphthalene (78431-42-2,78439-95-9)

Guidance literature:

With hydrazine hydrate; for 9h; Heating;

Reference yield:

(E)-2-benzylidene-6-methoxy-3,4-dihydronaphthalen-1(2H)-one (50558-94-6) + acetic acid (64-19-7,77671-22-8) → 3,3a-trans-2(H)-acetyl-7-methoxy-3-phenyl-3,3a,4,5-tetrahydropyrazolo<3,4-a>naphthalene (78431-42-2,78439-95-9) + 3,3a-cis-2(H)-acetyl-7-methoxy-3-phenyl-3,3a,4,5-tetrahydropyrazolo<3,4-a>naphthalene (78431-42-2,78439-95-9)

Guidance literature:

With hydrazine hydrate; for 9h; Heating;

upstream raw materials:

(E)-2-benzylidene-6-methoxy-3,4-dihydronaphthalen-1(2H)-one

acetic acid