Azacyclonol

Base Information

• Chemical Name: Azacyclonol
• CAS No.: 115-46-8
• Molecular Formula: C18H21NO
• Molecular Weight: 267.371
• Hs Code.: 29333999
• European Community (EC) Number: 204-092-5
• UNII: 2MMR990PEM
• DSSTox Substance ID: DTXSID2045280
• Nikkaji Number: J5.268J
• Wikipedia: Azacyclonol
• Wikidata: Q4832014
• NCI Thesaurus Code: C76502
• ChEMBL ID: CHEMBL127508
• Mol file: 115-46-8.mol

Synonyms:azacyclonol;azacyclonol hydrochloride

Chemical Property of Azacyclonol

Chemical Property:

• Appearance/Colour: white to light beige crystalline powder
• Vapor Pressure: 1.02E-08mmHg at 25°C
• Melting Point: 160-163 °C
• Refractive Index: 1.584
• Boiling Point: 445.5 °C at 760 mmHg
• PKA: 13.32±0.29(Predicted)
• Flash Point: 142 °C
• PSA: 32.26000
• Density: 1.103 g/cm³
• LogP: 3.25090
• Storage Temp.: Store below +30°C.
• Solubility.: Chloroform, Methanol (Slightly, Sonicated)
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 267.162314293
• Heavy Atom Count: 20
• Complexity: 268

Purity/Quality:

99% ^*data from raw suppliers

α-(4-Piperidyl)benzhydrol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O
• Uses: α-(4-Piperidyl)benzhydrol is a key intermediate in the synthesis of Fexofenadine (F322490). Fexofenadine EP Impurity E. Anxiolytic;H1 antagonist α-(4-Piperidyl)benzhydrol is a key intermediate in the synthesis of Fexofenadine (F322490).
• Therapeutic Function: Tranquilizer

Technology Process of Azacyclonol

There total 25 articles about Azacyclonol 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%

α,α-diphenyl-1-(phenylmethyl)-4-piperidinemethanol (114399-88-1) → C18H21NO (115-46-8)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; at 70 ℃; under 2585.7 Torr;

DOI:10.1021/jm00121a022

Reference yield: 95.0%

(1-benzyl-1,2,3,6-tetrahydropyridin-4-yl)diphenylmethanol → C18H21NO (115-46-8)

Guidance literature:

With hydrogen; palladium(II) hydroxide; In methanol; at 10 - 20 ℃; for 5h; under 258.581 Torr; Reagent/catalyst; Autoclave;

Reference yield: 95.0%

N-acetyl-α,α-diphenyl-4-piperidinemethanol (58113-28-3) → C18H21NO (115-46-8)

Guidance literature:

With hydrogenchloride; In ethanol; water; at 65 - 97 ℃; for 12h;

upstream raw materials:

diphenyl(pyridin-4-yl)methanol

ethyl 4-(hydroxydiphenylmethyl)piperidine-1-carboxylate

α,α-diphenyl-1-(phenylmethyl)-4-piperidinemethanol

benzyl 4-(hydroxydiphenylmethyl)-piperidine-1-carboxylate

Downstream raw materials:

N-[4-(α-hydroxy-benzhydryl)-piperidinomethyl]-succinimide

4-ethyl-1-[4-(α-hydroxy-benzhydryl)-piperidinomethyl]-4-methyl-piperidine-2,6-dione

[1-(Bis-octyloxy-phosphoryl)-[4]piperidyl]-diphenyl-methanol

(1-diethoxyphosphoryl-[4]piperidyl)-diphenyl-methanol