4-Phenyl-4aalpha,5,8,8aalpha-tetrahydrophthalazine-1(2H)-one

Base Information

Chemical Name:4-Phenyl-4aalpha,5,8,8aalpha-tetrahydrophthalazine-1(2H)-one
CAS No.:916767-03-8
Molecular Formula:C₁₄H₁₄N₂O
Molecular Weight:226.278
Hs Code.:
DSSTox Substance ID:DTXSID901188731
Nikkaji Number:J2.182.925K

Synonyms:DTXSID901188731;4-Phenyl-4aalpha,5,8,8aalpha-tetrahydrophthalazine-1(2H)-one;(4aS,8aR)-4a,5,8,8a-Tetrahydro-4-phenyl-1(2H)-phthalazinone;916767-03-8

Suppliers and Price of 4-Phenyl-4aalpha,5,8,8aalpha-tetrahydrophthalazine-1(2H)-one

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 4-Phenyl-4aalpha,5,8,8aalpha-tetrahydrophthalazine-1(2H)-one

Chemical Property:

XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:226.110613074
Heavy Atom Count:17
Complexity:366

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1C=CCC2C1C(=NNC2=O)C3=CC=CC=C3
Isomeric SMILES:C1C=CC[C@@H]2[C@H]1C(=NNC2=O)C3=CC=CC=C3

Technology Process of 4-Phenyl-4aalpha,5,8,8aalpha-tetrahydrophthalazine-1(2H)-one

There total 2 articles about 4-Phenyl-4aalpha,5,8,8aalpha-tetrahydrophthalazine-1(2H)-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: 71.0%

: 916767-00-5
(1R,6S)-6-benzoyl-1-[(4R)-4-isopropyl-1,3-thiazolidine-2-thion-3-yl]carbonylcyclohex-3-ene

: 916767-03-8
(+)-cis-4-phenyl-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one

Guidance literature:: With hydrazine hydrate; In ethanol; for 12h; Heating;
DOI:10.3987/com-06-10843

Reference yield:

: 31211-31-1,35033-78-4,36919-22-9
racemic cis-6-benzoylcyclohex-3-enecarboxylic acid

: 916767-03-8
(+)-cis-4-phenyl-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one

Guidance literature:: Multi-step reaction with 2 steps

1: 41 percent / WSCD*HCl; DMAP / CH₂Cl₂ / 1 h / 20 °C

2: 71 percent / hydrazine monohydrate / ethanol / 12 h / Heating

With dmap; WSCD*HCl; hydrazine hydrate; In ethanol; dichloromethane;
DOI:10.3987/com-06-10843

Reference yield:

: 2404-35-5
cycloheptyl bromide

: 916767-03-8
(+)-cis-4-phenyl-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one

: (+)-cis-2-cycloheptyl-4-phenyl-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one

: (4aR,8aS)-2-cycloheptyl-4-phenyl-4a,5,8,8a-tetrahydrophthalazin-1(2H)-one

Guidance literature:: With sodium hydride; In N,N-dimethyl-formamide; at 20 ℃; for 4h; Title compound not separated from byproducts.;
DOI:10.3987/com-06-10843