(4R,5R)-5-amino-1-benzyl-4-(2,4,5-trifluorophenyl)piperidin-2-one

Base Information

Chemical Name:(4R,5R)-5-amino-1-benzyl-4-(2,4,5-trifluorophenyl)piperidin-2-one
CAS No.:936482-13-2
Molecular Formula:C₁₈H₁₇F₃N₂O
Molecular Weight:334.341
Hs Code.:
ChEMBL ID:CHEMBL224091
DSSTox Substance ID:DTXSID10583314
Pharos Ligand ID:G8RMHKHGXQT1
Wikidata:Q72440721
Mol file:936482-13-2.mol

Synonyms:(4R,5R)-5-amino-1-benzyl-4-(2,4,5-trifluorophenyl)piperidin-2-one;936482-13-2;CHEMBL224091;BDBM15504;DTXSID10583314;Piperidinone-Constrained Phenethylamine 19;4, 5-trans-5-amino-1-benzyl-4-(2,4,5-trifluorophenyl)piperidin-2-one

Suppliers and Price of (4R,5R)-5-amino-1-benzyl-4-(2,4,5-trifluorophenyl)piperidin-2-one

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 1 raw suppliers

Chemical Property of (4R,5R)-5-amino-1-benzyl-4-(2,4,5-trifluorophenyl)piperidin-2-one

Chemical Property:

Boiling Point:459.5±45.0 °C(Predicted)
PKA:8.36±0.40(Predicted)
Density:1.302±0.06 g/cm3(Predicted)
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:334.12929766
Heavy Atom Count:24
Complexity:444

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1C(C(CN(C1=O)CC2=CC=CC=C2)N)C3=CC(=C(C=C3F)F)F
Isomeric SMILES:C1[C@@H]([C@H](CN(C1=O)CC2=CC=CC=C2)N)C3=CC(=C(C=C3F)F)F

Technology Process of (4R,5R)-5-amino-1-benzyl-4-(2,4,5-trifluorophenyl)piperidin-2-one

There total 3 articles about (4R,5R)-5-amino-1-benzyl-4-(2,4,5-trifluorophenyl)piperidin-2-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:

: C₁₈H₁₅F₃N₂O₃

: 936482-13-2
C₁₈H₁₇F₃N₂O

Guidance literature:: With acetic acid; zinc; In ethanol; at 75 ℃;
DOI:10.1021/jm061436d

Reference yield:

: methyl (E)-3-(2,4,5-trifluorophenyl)acrylate

: 936482-13-2
C₁₈H₁₇F₃N₂O

Guidance literature:: Multi-step reaction with 3 steps

1: 1,8-diazabicyclo[4.5.0]-undec-7-ene / methanol; dimethylformamide

2: ethanol / 90 °C

3: zinc; acetic acid / ethanol / 75 °C

With acetic acid; zinc; In methanol; ethanol; N,N-dimethyl-formamide; 1: Michael addition;
DOI:10.1021/jm061436d

Reference yield:

: 936482-08-5
methyl 4-nitro-3-(2,4,5-trifluorophenyl)butanoate

: 936482-13-2
C₁₈H₁₇F₃N₂O

Guidance literature:: Multi-step reaction with 2 steps

1: ethanol / 90 °C

2: zinc; acetic acid / ethanol / 75 °C

With acetic acid; zinc; In ethanol;
DOI:10.1021/jm061436d