Benzyl 4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxylate

Base Information

Chemical Name:Benzyl 4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxylate
CAS No.:1076199-00-2
Molecular Formula:C₁₉H₂₀ClNO₃
Molecular Weight:345.826
Hs Code.:
DSSTox Substance ID:DTXSID20500451
Wikidata:Q82352048
Mol file:1076199-00-2.mol

Synonyms:1076199-00-2;BENZYL 4-(4-CHLOROPHENYL)-4-HYDROXYPIPERIDINE-1-CARBOXYLATE;N-Benzyloxycarbonyl-4-(4-chlorophenyl)-4-piperidinol;1-N-CBZ-4-(4-CHLOROPHENYL)-4-HYDROXYPIPERIDINE;starbld0018829;SCHEMBL16936275;DTXSID20500451;BTB19900;FT-0662921;FT-0662922;EN300-12611781

Suppliers and Price of Benzyl 4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxylate

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

TRC
N-Benzyloxycarbonyl-4-(4-chlorophenyl)-4-piperidinol
2g
$ 1230.00

American Custom Chemicals Corporation
1-N-CBZ-4-(4-CHLOROPHENYL)-4-HYDROXYPIPERIDINE 95.00%
5MG
$ 497.05

Total 2 raw suppliers

Chemical Property of Benzyl 4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxylate

Chemical Property:

PSA：49.77000
LogP:3.89810
Storage Temp.:Refrigerator
Solubility.:Chloroform (Slightly), Methanol (Slightly)
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:345.1131712
Heavy Atom Count:24
Complexity:409

Purity/Quality:

99% ^*data from raw suppliers

N-Benzyloxycarbonyl-4-(4-chlorophenyl)-4-piperidinol ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CN(CCC1(C2=CC=C(C=C2)Cl)O)C(=O)OCC3=CC=CC=C3
Uses An intermediate for the preparation of Haloperidol

Technology Process of Benzyl 4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxylate

There total 5 articles about Benzyl 4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxylate 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:

: 106-39-8
bromochlorobenzene

: 19099-93-5
benzyl 4-oxo-1-piperidinecarboxylate

: 1076199-00-2
benzyl 4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxylate

Guidance literature:: bromochlorobenzene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 1.16667h; Inert atmosphere;

benzyl 4-oxo-1-piperidinecarboxylate; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 4.16667h; Inert atmosphere;
DOI:10.1002/ejoc.201900498

Reference yield:

: 39512-49-7
4-(4-chlorophenyl)-4-hydroxypiperidine

: 501-53-1,94274-21-2
benzyl chloroformate

: 1076199-00-2
benzyl 4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxylate

Guidance literature:: With triethylamine; In dichloromethane; at 0 ℃; for 1h;

Reference yield:

: 235109-63-4
4-(4-chloro-phenyl)-4-hydroxy-piperidine-1-carboxylic acid tert-butyl ester

: 1076199-00-2
benzyl 4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: trifluoroacetic acid / dichloromethane / 2 h / 20 °C

2: triethylamine / dichloromethane / 1 h / 0 °C

With triethylamine; trifluoroacetic acid; In dichloromethane;