(3S)-1-[(4-Fluorophenyl)methyl]-3-(2-methylpropyl)-2-piperazinone

Base Information

Chemical Name:(3S)-1-[(4-Fluorophenyl)methyl]-3-(2-methylpropyl)-2-piperazinone
CAS No.:500782-66-1
Molecular Formula:C15H21FN2O
Molecular Weight:264.343
Hs Code.:
DSSTox Substance ID:DTXSID001169154
Nikkaji Number:J3.385.127H

Synonyms:SCHEMBL12207247;DTXSID001169154;500782-66-1;(3S)-1-[(4-Fluorophenyl)methyl]-3-(2-methylpropyl)-2-piperazinone

Suppliers and Price of (3S)-1-[(4-Fluorophenyl)methyl]-3-(2-methylpropyl)-2-piperazinone

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of (3S)-1-[(4-Fluorophenyl)methyl]-3-(2-methylpropyl)-2-piperazinone

Chemical Property:

XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:264.16379146
Heavy Atom Count:19
Complexity:301

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)CC1C(=O)N(CCN1)CC2=CC=C(C=C2)F
Isomeric SMILES:CC(C)C[C@H]1C(=O)N(CCN1)CC2=CC=C(C=C2)F

Technology Process of (3S)-1-[(4-Fluorophenyl)methyl]-3-(2-methylpropyl)-2-piperazinone

There total 7 articles about (3S)-1-[(4-Fluorophenyl)methyl]-3-(2-methylpropyl)-2-piperazinone 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: 99.0%

: 500782-65-0
C₂₃H₂₅FN₂O₃

: 500782-66-1
(S)-1-(4-fluorobenzyl)-3-Isobutylpiperazin-2-one

Guidance literature:: With hydrogen; palladium on activated charcoal; In methanol; ethyl acetate; for 4h; atmospheric pressure;
DOI:10.1039/b517572k

Reference yield: 24.0%

: (R)-1,1,1-trichloro-4-methylpentan-2-ol

: 2070-85-1
N¹-4-fluorobenzylethane-1,3-diamine

: 500782-66-1
(S)-1-(4-fluorobenzyl)-3-Isobutylpiperazin-2-one

Guidance literature:: (R)-1,1,1-trichloro-4-methylpentan-2-ol; N¹-4-fluorobenzylethane-1,3-diamine; With N-benzyl-N,N,N-triethylammonium chloride; In dichloromethane; for 0.166667h;

With sodium hydroxide; In dichloromethane; water; at 5 - 22 ℃; for 17.25h; regioselective reaction;
DOI:10.1039/c4ob02311k

Reference yield:

: 459-57-4
4-fluorobenzaldehyde

: 500782-66-1
(S)-1-(4-fluorobenzyl)-3-Isobutylpiperazin-2-one

Guidance literature:: Multi-step reaction with 4 steps

1: NaBH(OAc)3 / various solvent(s) / 24 h

2: 2.2 g / EDCI; DIEA / CH₂Cl₂ / 5 h / 20 °C

3: 91 percent / TFA / H₂O / 2 h / 20 °C

4: 99 percent / H₂ / Pd/C / ethyl acetate; methanol / 4 h / atmospheric pressure

With hydrogen; sodium tris(acetoxy)borohydride; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; palladium on activated charcoal; In methanol; dichloromethane; water; ethyl acetate;
DOI:10.1039/b517572k