(2S,3S)-N-(2-methoxy-5-(trifluoromethoxy)benzyl)-2-phenylpiperidin-3-amine

Base Information

Chemical Name:(2S,3S)-N-(2-methoxy-5-(trifluoromethoxy)benzyl)-2-phenylpiperidin-3-amine
CAS No.:145742-28-5
Molecular Formula:C₂₀H₂₃F₃N₂O₂
Molecular Weight:380.41
Hs Code.:
UNII:R7OYP6N58F
DSSTox Substance ID:DTXSID9047251
Nikkaji Number:J751.220A
Wikidata:Q27287911
Pharos Ligand ID:58QYBNJPRAR6
Metabolomics Workbench ID:149468
ChEMBL ID:CHEMBL319118
Mol file:145742-28-5.mol

Synonyms:(2S,3S)-2-phenyl-3-((5-trifluoromethoxy-2-methoxy)benzylamino)piperidine;3-(2-methoxy-5-trifluoromethoxybenzyl)amino-2-piperidine;CP 122,721;CP 122721;CP-122,721;CP-122721

Suppliers and Price of (2S,3S)-N-(2-methoxy-5-(trifluoromethoxy)benzyl)-2-phenylpiperidin-3-amine

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

American Custom Chemicals Corporation
CP-122721 95.00%
5MG
$ 498.31

Total 6 raw suppliers

Chemical Property of (2S,3S)-N-(2-methoxy-5-(trifluoromethoxy)benzyl)-2-phenylpiperidin-3-amine

Chemical Property:

Boiling Point:426.3°Cat760mmHg
Flash Point:211.6°C
PSA：42.52000
Density:1.219g/cm³
LogP:4.89640
XLogP3:4.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:380.17116247
Heavy Atom Count:27
Complexity:443

Purity/Quality:

98%min ^*data from raw suppliers

CP-122721 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=C(C=C(C=C1)OC(F)(F)F)CNC2CCCNC2C3=CC=CC=C3
Isomeric SMILES:COC1=C(C=C(C=C1)OC(F)(F)F)CN[C@H]2CCCN[C@H]2C3=CC=CC=C3

Technology Process of (2S,3S)-N-(2-methoxy-5-(trifluoromethoxy)benzyl)-2-phenylpiperidin-3-amine

There total 28 articles about (2S,3S)-N-(2-methoxy-5-(trifluoromethoxy)benzyl)-2-phenylpiperidin-3-amine 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: 89.0%

: 500021-58-9
tert-butyl (2S,3S)-3-{[2-methoxy-5-(trifluoromethoxy)benzyl]amino}-2-phenyl-1-piperidinecarboxylate

: 145742-28-5
(2S,3S)-3-(2-methoxy-5-trifluoromethoxybenzyl)-amino-2-phenylpiperidine

Guidance literature:: With hydrogenchloride; In methanol; at 20 ℃; for 4h;
DOI:10.1021/jo049517+

Reference yield:

: (2S,3S,Ε)-tert-butyl 3-(2-methoxy-5-(trifluoromethoxy)benzylideneamine)phenylpiperidine-1-carboxylate

: 145742-28-5
(2S,3S)-3-(2-methoxy-5-trifluoromethoxybenzyl)-amino-2-phenylpiperidine

Guidance literature:: With methanol; sodium tetrahydroborate; for 3h; Reagent/catalyst;

Reference yield:

: 191669-62-2
(S)-tert-butyl 3-carbonyl-2-phenylpiperidine-1-carboxylic acid

: 145742-28-5
(2S,3S)-3-(2-methoxy-5-trifluoromethoxybenzyl)-amino-2-phenylpiperidine

Guidance literature:: Multi-step reaction with 4 steps

1.1: pyridine / 0.5 h / 20 °C

2.1: 27.8 mg / BH₃*THF / tetrahydrofuran / 4 h / 45 °C

3.1: TiCl₄ / benzene / 1 h / 0 °C

3.2: 78 percent / NaBH₃CN / benzene; methanol / 4 h / 20 °C

4.1: 89 percent / conc. HCl / methanol / 4 h / 20 °C

With hydrogenchloride; borane-THF; titanium tetrachloride; In tetrahydrofuran; pyridine; methanol; benzene;
DOI:10.1021/jo049517+