Jdh4VT5tsv

Base Information

• Chemical Name: Jdh4VT5tsv
• CAS No.: 148700-91-8
• Molecular Formula: C20H19 F6 N O
• Molecular Weight: 403.367
• UNII: JDH4VT5TSV
• ChEMBL ID: CHEMBL85047
• Nikkaji Number: J2.091.017H
• Mol file: 148700-91-8.mol

Synonyms:3-((3,5-bis(trifluoromethyl)phenyl)methyloxy)-2-phenylpiperidine;L 733,060;L 733,061;L 733060;L 733061;L-733,060;L-733,061;L-733060;L-733061

Chemical Property of Jdh4VT5tsv

Chemical Property:

• XLogP3: 5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 403.13708320
• Heavy Atom Count: 28
• Complexity: 466

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(C(NC1)C2=CC=CC=C2)OCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F
• Isomeric SMILES: C1C[C@H]([C@H](NC1)C2=CC=CC=C2)OCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Technology Process of Jdh4VT5tsv

There total 21 articles about Jdh4VT5tsv 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: 88.0%

(2R,3R)-1-(tert-butyloxycarbonyl)-2-phenyl-3-[(3,5-bis(trifluoromethyl)benzyl)oxy]piperidine (763105-95-9) → L 733061 (148700-91-8,148700-84-9)

Guidance literature:

With trifluoroacetic acid; at 20 ℃;

DOI:10.1021/jo049166z

Reference yield: 75.0%

N-(1E)-[(2R,3R)-3-{[3,5-bis(trifluoromethyl)benzyl]oxy}-2-phenyl-piperidin-1-yl]-N-[(S)-2-(1-methoxy-3-methylbutyl)]-benzamidine (777944-34-0) → L 733061 (148700-91-8,148700-84-9)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; at 20 ℃; for 3h;

DOI:10.1021/ol048624n

Reference yield:

C2HF3O2*C21H23F6NO4S → L 733061 (148700-91-8,148700-84-9)

Guidance literature:

With triethylamine; In methanol; at 60 ℃; for 2h; Inert atmosphere;

DOI:10.1016/j.tet.2011.02.031

upstream raw materials:

N-(1E)-[(2R,3R)-3-{[3,5-bis(trifluoromethyl)benzyl]oxy}-2-phenyl-piperidin-1-yl]-N-[(S)-2-(1-methoxy-3-methylbutyl)]-benzamidine

(2R,3R)-1-(tert-butyloxycarbonyl)-2-phenyl-3-[(3,5-bis(trifluoromethyl)benzyl)oxy]piperidine

(2R,3R)-1-(tert-butyloxycarbonyl)-3-hydroxy-2-phenylpiperidine

(S)-3-benzyloxy-1-(4-methoxybenzyl)-2,6-piperidinedione

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