ethyl 1-phenyl-4,5-dihydro-1H-benzo[g]indazole-3-carboxylate

Base Information

Chemical Name:ethyl 1-phenyl-4,5-dihydro-1H-benzo[g]indazole-3-carboxylate
CAS No.:60656-27-1
Molecular Formula:C20H18N2O2
Molecular Weight:318.36900
Hs Code.:
DSSTox Substance ID:DTXSID50484957
Nikkaji Number:J3.148.955E
Wikidata:Q82323766
Mol file:60656-27-1.mol

Synonyms:60656-27-1;ethyl 1-phenyl-4,5-dihydro-1H-benzo[g]indazole-3-carboxylate;ethyl 1-phenyl-4,5-dihydrobenzo[g]indazole-3-carboxylate;AO-476/43407402;SCHEMBL8593062;DTXSID50484957

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

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Chemical Property of ethyl 1-phenyl-4,5-dihydro-1H-benzo[g]indazole-3-carboxylate

Chemical Property:

PSA：44.12000
LogP:3.81460
XLogP3:4.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:318.136827821
Heavy Atom Count:24
Complexity:449

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOC(=O)C1=NN(C2=C1CCC3=CC=CC=C32)C4=CC=CC=C4

Technology Process of ethyl 1-phenyl-4,5-dihydro-1H-benzo[g]indazole-3-carboxylate

There total 8 articles about ethyl 1-phenyl-4,5-dihydro-1H-benzo[g]indazole-3-carboxylate 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: 87.0%

: ethyl (3a,9b)-9b-acetamido-1-phenyl-3a,4,5,9b-tetrahydro-1H-benzo[g]indazole-3-carboxylate

: 60656-27-1
ethyl 1-phenyl-4,5-dihydro-1H-benzo[g]indazole-3-carboxylate

Guidance literature:: With aluminum (III) chloride; at 20 ℃; for 0.5h; Inert atmosphere;
DOI:10.1021/acs.joc.0c02244

Reference yield: 78.0%

: 58199-07-8
ethyl α-(1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)-α-oxoacetate

: 59-88-1
phenylhydrazine hydrochloride

: 60656-27-1
ethyl 1-phenyl-4,5-dihydro-1H-benzo[g]indazole-3-carboxylate

Guidance literature:: In ethanol; Heating;
DOI:10.1016/S0014-827X(03)00131-9

Reference yield:

: 53120-34-6
ethyl 2-(1-hydroxy-3,4-dihydronaphthalen-2-yl)-2-oxoacetate

: 100-63-0
phenylhydrazine

: 60656-27-1
ethyl 1-phenyl-4,5-dihydro-1H-benzo[g]indazole-3-carboxylate

Guidance literature:: ethyl 2-(1-hydroxy-3,4-dihydronaphthalen-2-yl)-2-oxoacetate; phenylhydrazine; With acetic acid; In tetrahydrofuran; for 8h; Inert atmosphere; Reflux;

With acetyl chloride; In tetrahydrofuran; for 8h; regioselective reaction; Inert atmosphere; Reflux;
DOI:10.1016/j.tet.2012.11.012