gamma-[4-(p-Chloro-alpha-hydroxybenzyl)piperidino]-p-fluorobutyrophenone

Base Information

Chemical Name:gamma-[4-(p-Chloro-alpha-hydroxybenzyl)piperidino]-p-fluorobutyrophenone
CAS No.:38077-13-3
Molecular Formula:C22H25ClFNO2
Molecular Weight:389.89100
Hs Code.:
ChEMBL ID:CHEMBL357956
DSSTox Substance ID:DTXSID501133615
Nikkaji Number:J395.151K
Mol file:38077-13-3.mol

Synonyms:gamma-[4-(p-Chloro-alpha-hydroxybenzyl)piperidino]-p-fluorobutyrophenone;CHEMBL357956;4-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one;38077-13-3;SCHEMBL11622050;DLIITBUFJWYNOW-UHFFFAOYSA-N;DTXSID501133615;BDBM50474705;4-(p-Chloro-alpha-hydroxybenzyl)-1-[3-(p-fluorobenzoyl)propyl]piperidine;4-[4-[(4-Chlorophenyl)hydroxymethyl]-1-piperidinyl]-1-(4-fluorophenyl)-1-butanone

Suppliers and Price of gamma-[4-(p-Chloro-alpha-hydroxybenzyl)piperidino]-p-fluorobutyrophenone

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 2 raw suppliers

Chemical Property of gamma-[4-(p-Chloro-alpha-hydroxybenzyl)piperidino]-p-fluorobutyrophenone

Chemical Property:

Melting Point:146.5 - 147 °C
PSA：40.54000
LogP:4.82550
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:389.1557849
Heavy Atom Count:27
Complexity:453

Purity/Quality:: 98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CN(CCC1C(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)F

Technology Process of gamma-[4-(p-Chloro-alpha-hydroxybenzyl)piperidino]-p-fluorobutyrophenone

There total 7 articles about gamma-[4-(p-Chloro-alpha-hydroxybenzyl)piperidino]-p-fluorobutyrophenone 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: 60.0%

: 36938-75-7
(4-chlorophenyl)(piperidin-4-yl)methanol

: 3874-54-2,41167-07-1
4-(4-fluorophenyl)-4-oxo-n-butyl chloride

: 38077-13-3
4-(p-Chloro-α-hydroxybenzyl)-1-[3-(p-fluorobenzoyl)propyl]piperidine

Guidance literature:: With potassium hydrogencarbonate; potassium iodide; In toluene; for 48h; Heating;
DOI:10.1021/jm0301033

Reference yield:

: 55695-50-6
2-(p-fluorophenyl)-2-{3-[4-(p-chlorobenzoyl)piperidinyl]propyl}-1,3-dioxolane

: benzene-isooctane

: 38077-13-3
4-(p-Chloro-α-hydroxybenzyl)-1-[3-(p-fluorobenzoyl)propyl]piperidine

Guidance literature:: With hydrogenchloride; sodium borohydrid; In ethanol; chloroform;

Reference yield:

: 14548-48-2
4-(4-chlorobenzoyl)pyridine

: 38077-13-3
4-(p-Chloro-α-hydroxybenzyl)-1-[3-(p-fluorobenzoyl)propyl]piperidine

Guidance literature:: Multi-step reaction with 3 steps

1: 80 percent / NaBH₄ / ethanol / 0.5 h / Heating

2: 76 percent / H₂; aq. HCl / PtO₂ / ethanol / 0.5 h / 2280 Torr

3: 60 percent / KHCO₃; KI / toluene / 48 h / Heating

With hydrogenchloride; sodium tetrahydroborate; hydrogen; potassium hydrogencarbonate; potassium iodide; platinum(IV) oxide; In ethanol; toluene;
DOI:10.1021/jm0301033