1-(4-Aminophenyl)-3-cyclohexyl-3-azabicyclo[3.1.1]heptane-2,4-dione

Base Information

Chemical Name:1-(4-Aminophenyl)-3-cyclohexyl-3-azabicyclo[3.1.1]heptane-2,4-dione
CAS No.:103297-87-6
Molecular Formula:C₁₈H₂₂N₂O₂
Molecular Weight:298.385
Hs Code.:
ChEMBL ID:CHEMBL27467
DSSTox Substance ID:DTXSID601161289
Nikkaji Number:J377.485F
Pharos Ligand ID:1ZQLLY5PC722

Synonyms:CHEMBL27467;1-(4-aminophenyl)-3-cyclohexyl-3-azabicyclo[3.1.1]heptane-2,4-dione;SCHEMBL2777811;QQMGXUVJMQNZGE-UHFFFAOYSA-N;DTXSID601161289;BDBM50011756;103297-87-6;1-(4-Amino-phenyl)-3-cyclohexyl-3-aza-bicyclo[3.1.1]heptane-2,4-dione;1-(4-aminophenyl)-3-cyclohexyl-3-azabicyclo[3.1.1]-heptane-2,4-dione

Suppliers and Price of 1-(4-Aminophenyl)-3-cyclohexyl-3-azabicyclo[3.1.1]heptane-2,4-dione

Supply Marketing:

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

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Chemical Property of 1-(4-Aminophenyl)-3-cyclohexyl-3-azabicyclo[3.1.1]heptane-2,4-dione

Chemical Property:

XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:298.168127949
Heavy Atom Count:22
Complexity:470

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CCC(CC1)N2C(=O)C3CC(C3)(C2=O)C4=CC=C(C=C4)N

Technology Process of 1-(4-Aminophenyl)-3-cyclohexyl-3-azabicyclo[3.1.1]heptane-2,4-dione

There total 4 articles about 1-(4-Aminophenyl)-3-cyclohexyl-3-azabicyclo[3.1.1]heptane-2,4-dione 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: 62.0%

: 103297-88-7
3-cyclohexyl-1-(4-nitrophenyl)-3-azabicyclo[3.1.1]-heptane-2,4-dione

: 103297-87-6
1-(4-aminophenyl)-3-cyclohexyl-3-azabicyclo[3.1.1]-heptane-2,4-dione

Guidance literature:: With hydrogen; palladium on activated charcoal; In ethanol;
DOI:10.1021/jm00108a013

Reference yield:

: 51747-44-5
α-(p-nitrophenyl)acrylic acid

: 103297-87-6
1-(4-aminophenyl)-3-cyclohexyl-3-azabicyclo[3.1.1]-heptane-2,4-dione

Guidance literature:: Multi-step reaction with 4 steps

1: oxalyl chloride / CH₂Cl₂; dimethylformamide / 2 h / Ambient temperature

2: triethylamine / CH₂Cl₂ / 1.5 h / Ambient temperature

3: 42 percent / 2,6-di-tert-butyl-p-cresol / various solvent(s) / 1.5 h / 170 °C

4: 62 percent / H₂ / 5percent Pd/C / ethanol

With oxalyl dichloride; 2,6-di-tert-butyl-4-methyl-phenol; hydrogen; triethylamine; palladium on activated charcoal; In ethanol; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jm00108a013

Reference yield:

: 103296-88-4
2-(4-Nitro-phenyl)-acryloyl chloride

: 103297-87-6
1-(4-aminophenyl)-3-cyclohexyl-3-azabicyclo[3.1.1]-heptane-2,4-dione

Guidance literature:: Multi-step reaction with 3 steps

1: triethylamine / CH₂Cl₂ / 1.5 h / Ambient temperature

2: 42 percent / 2,6-di-tert-butyl-p-cresol / various solvent(s) / 1.5 h / 170 °C

3: 62 percent / H₂ / 5percent Pd/C / ethanol

With 2,6-di-tert-butyl-4-methyl-phenol; hydrogen; triethylamine; palladium on activated charcoal; In ethanol; dichloromethane;
DOI:10.1021/jm00108a013