Introduction：Basic information about alpha,alpha-Diphenyl-4-piperidinomethanol CAS 115-46-8, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
alpha,alpha-Diphenyl-4-piperidinomethanol Basic information
| Product Name: | alpha,alpha-Diphenyl-4-piperidinomethanol |
| Synonyms: | TIMTEC-BB SBB003057;4-Piperidinemethanol, alpha,alpha-diphenyl-;alpha,alpha-diphenyl-4-piperidinemethano;Ataractan;Azacyklonol;Calmeran;Diphenyl(4-piperidinyl)methanol;Diphenyl-4-piperidylmethanol |
| CAS: | 115-46-8 |
| MF: | C18H21NO |
| MW: | 267.37 |
| EINECS: | 204-092-5 |
| Product Categories: | Pharmaceutical Intermediates;γ-pipradol;(intermediate of fexofenadine hcl);INTERMEDIATESOFFEXOFENADINE;Chemical intermediate for Fexofenadine HCl |
| Mol File: | 115-46-8.mol |
|
alpha,alpha-Diphenyl-4-piperidinomethanol Chemical Properties
| Melting point | 160-163 °C |
| Boiling point | 410.55°C (rough estimate) |
| density | 1.0449 (rough estimate) |
| vapor pressure | 0Pa at 25℃ |
| refractive index | 1.5100 (estimate) |
| storage temp. | Store below +30°C. |
| solubility | Chloroform, Methanol (Slightly, Sonicated) |
| pka | 13.32±0.29(Predicted) |
| form | Solid |
| color | White to light beige |
| InChI | InChI=1S/C18H21NO/c20-18(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-11-13-19-14-12-17/h1-10,17,19-20H,11-14H2 |
| InChIKey | ZMISODWVFHHWNR-UHFFFAOYSA-N |
| SMILES | C(O)(C1CCNCC1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| CAS DataBase Reference | 115-46-8(CAS DataBase Reference) |
| NIST Chemistry Reference | Azacyclonol(115-46-8) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 24/25 |
| WGK Germany | WGK 3 highly water endangering |
| RTECS | TN0470000 |
| HS Code | 29333999 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral
Eye Irrit. 2 |
alpha,alpha-Diphenyl-4-piperidinomethanol Usage And Synthesis
| Description | alpha,alpha-Diphenyl-4-piperidinomethanol is an important organic synthetic substance for the synthesis of diphenyl-4-piperidinomethanol. It is also used as a pharmaceutical intermediate in the preparation of terfenadine and Fexofenadine hydrochloride. |
| Chemical Properties | α,α-Diphenyl-4-piperidinemethanol has the appearance of a white to almost white powder to crystals with a melting point of 163 °C. Store at -20 °C. |
| Originator | Frenquel,Merrell,US,1955 |
| Uses | Anxiolytic;H1 antagonist |
| Uses | α-(4-Piperidyl)benzhydrol is a key intermediate in the synthesis of Fexofenadine (F322490). Fexofenadine EP Impurity E. |
| Definition | ChEBI: Diphenyl(4-piperidinyl)methanol is a diarylmethane. |
| Manufacturing Process | A mixture of 26 g (0.1 mol) of α-(4-pyridyl)-benzhydrol, 1.5 g of platinumoxide, and 250 ml of glacial acetic acid is shaken at 50-60°C under hydrogenat a pressure of 40-50 lb/in2. The hydrogenation is complete in 2 to 3 hours.The solution is filtered and the filtrate evaprated under reduced pressure. Theresidue is dissolved in a mixture of equal parts of methanol and butanone and0.1 mol of concentrated hydrochloric acid is added. The mixture is cooled andfiltered to give about 30 g of α-(4-piperidyl)benzhydrol hydrochloride, MP 283-285°C, as a white, crystalline substance.
The free base is readily obtained from the hydrochloride salt by treatmentwith ammonia and when so obtained has a melting point of 160-161°C. |
| Brand name | Frenquel (Marion MerrellDow). |
| Therapeutic Function | Tranquilizer |
alpha,alpha-Diphenyl-4-piperidinomethanol Preparation Products And Raw materials
| Raw materials | Hydrogen |
| Preparation Products | Terfenadine-->4'-tert-butyl-4-[4-(hydroxybenzhydryl)piperidino]butyrophenone |
