8-[(1S,3aS)-2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

Base Information

Chemical Name:8-[(1S,3aS)-2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CAS No.:280783-56-4
Molecular Formula:C₂₆H₃₁N₃O
Molecular Weight:401.552
Hs Code.:
UNII:HKN6H9XXS6
DSSTox Substance ID:DTXSID901018435
Nikkaji Number:J1.386.651A
Wikipedia:Ro64-6198
Wikidata:Q7339209
Pharos Ligand ID:LH57MHC977PY
ChEMBL ID:CHEMBL2088034

Synonyms:8-(2,3,3a,4,5,6-hexahydro-1H-phenylen-1-yl)-1-phenyl-1,3,8-triazaspiro(4.5)decan-4-one;Ro 64-6198;Ro-64-6198;RO0646198;Ro64-6198

Suppliers and Price of 8-[(1S,3aS)-2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

Supply Marketing:

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

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Total 2 raw suppliers

Chemical Property of 8-[(1S,3aS)-2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

Chemical Property:

XLogP3:4.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:401.246712621
Heavy Atom Count:30
Complexity:636

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CC2CCC(C3=CC=CC(=C23)C1)N4CCC5(CC4)C(=O)NCN5C6=CC=CC=C6
Isomeric SMILES:C1C[C@H]2CC[C@@H](C3=CC=CC(=C23)C1)N4CCC5(CC4)C(=O)NCN5C6=CC=CC=C6

Technology Process of 8-[(1S,3aS)-2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

There total 49 articles about 8-[(1S,3aS)-2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-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:

: (1R,3aR)-4-(N-formyl-N-phenylamino)-1-(2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl)-piperidine-4-carboxylic acid amide

: 280783-56-4
8-(2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl)-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one

Guidance literature:: (1R,3aR)-4-(N-formyl-N-phenylamino)-1-(2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl)-piperidine-4-carboxylic acid amide; With orthoformic acid triethyl ester; Heating;

With sodium tetrahydroborate; In tetrahydrofuran; methanol; at 20 ℃;
DOI:10.1016/S0223-5234(00)00171-9

Reference yield:

: (1R,3aS)-4-(N-formyl-N-phenylamino)-1-(2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl)-piperidine-4-carboxylic acid amide

: 280783-56-4
8-(2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl)-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one

Guidance literature:: (1R,3aS)-4-(N-formyl-N-phenylamino)-1-(2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl)-piperidine-4-carboxylic acid amide; With orthoformic acid triethyl ester; Heating;

With sodium tetrahydroborate; In tetrahydrofuran; methanol; at 20 ℃;
DOI:10.1016/S0223-5234(00)00171-9

Reference yield:

: (1S,3aR)-4-(N-formyl-N-phenylamino)-1-(2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl)-piperidine-4-carboxylic acid amide

: 280783-56-4
8-(2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl)-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one

Guidance literature:: (1S,3aR)-4-(N-formyl-N-phenylamino)-1-(2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl)-piperidine-4-carboxylic acid amide; With orthoformic acid triethyl ester; Heating;

With sodium tetrahydroborate; In tetrahydrofuran; methanol; at 20 ℃;
DOI:10.1016/S0223-5234(00)00171-9