4-(4-Chlorophenyl)-4-hydroxypiperidine

Base Information

• Chemical Name: 4-(4-Chlorophenyl)-4-hydroxypiperidine
• CAS No.: 39512-49-7
• Molecular Formula: C11H14ClNO
• Molecular Weight: 211.691
• Hs Code.: 29333999
• European Community (EC) Number: 254-479-8
• NSC Number: 89568
• UNII: UND92FKS0W
• DSSTox Substance ID: DTXSID7057733
• Nikkaji Number: J31.368H
• Wikidata: Q27291160
• ChEMBL ID: CHEMBL3298755
• Mol file: 39512-49-7.mol

Synonyms:4-(4'-chlorophenyl)-4-piperidinol;4-(4-chlorophenyl)-4-hydroxypiperidine;4-CPPO;HCl of 4-(4'-chlorophenyl)-4-piperidinol

Chemical Property of 4-(4-Chlorophenyl)-4-hydroxypiperidine

Chemical Property:

• Appearance/Colour: white to creamy-white crystalline powder
• Vapor Pressure: 2.5E-05mmHg at 25°C
• Melting Point: 137-140 °C(lit.)
• Refractive Index: 1.6000 (estimate)
• Boiling Point: 344.5 °C at 760 mmHg
• PKA: 13.92±0.20(Predicted)
• Flash Point: 162.1 °C
• PSA: 32.26000
• Density: 1.216 g/cm³
• LogP: 2.23980
• Storage Temp.: Refrigerator
• Solubility.: 340mg/l
• Water Solubility.: 340 mg/L (20 ºC)
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 211.0763918
• Heavy Atom Count: 14
• Complexity: 184

Purity/Quality:

98% ^*data from raw suppliers

4-(4-Chlorophenyl)-4-hydroxypiperidine >97.0%(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-37/39-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Other Aromatics (Nitrogen)
• Canonical SMILES: C1CNCCC1(C2=CC=C(C=C2)Cl)O
• Uses: 4-(4-Chlorophenyl)-4-hydroxypiperidine can be used as potential fluorescent sigma receptor probes.

Technology Process of 4-(4-Chlorophenyl)-4-hydroxypiperidine

There total 9 articles about 4-(4-Chlorophenyl)-4-hydroxypiperidine 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: 96.0%

4-(4-chloro-phenyl)-4-hydroxy-piperidine-1-carboxylic acid tert-butyl ester (235109-63-4) → 4-(4-chlorophenyl)-4-hydroxypiperidine (39512-49-7)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; at 20 ℃; for 2h;

DOI:10.1021/acs.jmedchem.9b00864

Reference yield: 90.0%

N-benzyl-4-(4-chlorophenyl)-4-hydroxypiperidin (56108-25-9) → 4-(4-chlorophenyl)-4-hydroxypiperidine (39512-49-7)

Guidance literature:

With palladium on activated charcoal; hydrogen; In water; at 25 ℃; for 24h; under 750.075 Torr; Pressure; Temperature;

Reference yield:

4-(4-chlorophenyl)piperidine (26905-02-2) → 4-(4-chlorophenyl)-4-hydroxypiperidine (39512-49-7)

Guidance literature:

With dipotassium peroxodisulfate; sulfuric acid; In water; at 80 ℃; for 2h; Reagent/catalyst; Solvent; Sealed tube;

DOI:10.1021/acs.orglett.6b03731

upstream raw materials:

4-Brom-4-(4-chlor-phenyl)-piperidin

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

(4-chlorphenyl)magnesium bromide

N-tert-butyloxycarbonylpiperidin-4-one

Downstream raw materials:

haloperidol

VUF 5666

1-[3-(2-chloro-phenothiazin-10-yl)-propyl]-4-(4-chloro-phenyl)-piperidin-4-ol

4-(4-Chloro-phenyl)-1-(2-pyridin-2-yl-ethyl)-piperidin-4-ol; compound with (Z)-but-2-enedioic acid