1-BENZYLPIPERIDINE-4-CARBONITRILE
- CAS NO.:62718-31-4
- Empirical Formula: C13H16N2
- Molecular Weight: 200.28
- MDL number: MFCD01540574
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-03-13 11:54:02
What is 1-BENZYLPIPERIDINE-4-CARBONITRILE?
The Uses of 1-BENZYLPIPERIDINE-4-CARBONITRILE
1-Benzylpiperidine-4-carbonitrile is an intermediate in organic synthesis and pharmaceutical intermediate for lab R&D.
Synthesis
Step 1 Preparation of intermediate 1-benzyl-4-carbonylamide piperidine
To piperidine-4-carboxamide (16.5 g, 0.13 mol ) and K2CO3 (35.6 g, 0.26 mol) in EtOH (350 ml) was added benzyl bromide (22.0 g, 0.13 mol) And heated to reflux for 3 h, cooled to room temperature and filtered. The filtrate was evaporated in vacuo and H2O (200ml) was added. The aqueous layer was extracted with CH2Cl2 (3×150ml), the organic layers were combined, and Na2SO4Dry and filter. The solvent was evaporated in vacuo to give the product as a white solid (20.0 g, 71.0%).
Step 2 Preparation of intermediate 1-benzyl-4-cyanopiperidine
1-benzyl-4-carbonylamide piperidine (20.0 g, 91.7 mmol) Mixed with P2O5 (16.92, 119.2 mmol) and heated under argon at 180-200°C for 3 h, cooled to room temperature and added H2O (150 ml). The aqueous solution was basified by the careful addition of K2CO3 and then extracted with EtOAc (3× 150 ml). The organic extract was dried over Na2SO4, filtered and the solvent evaporated in vacuo to give a yellow oil (16.7 g, 90.9%).
Properties of 1-BENZYLPIPERIDINE-4-CARBONITRILE
Boiling point: | 330.3±35.0 °C(Predicted) |
Density | 1.06 |
storage temp. | 2-8°C |
pka | 6.95±0.10(Predicted) |
Safety information for 1-BENZYLPIPERIDINE-4-CARBONITRILE
Signal word | Warning |
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 1-BENZYLPIPERIDINE-4-CARBONITRILE
New Products
4-Aminotetrahydropyran-4-carbonitrile Hydrochloride (R)-3-Aminobutanenitrile Hydrochloride 4-AMINO-TETRAHYDRO-PYRAN-4-CARBOXYLIC ACID HCL 4-(Dimethylamino)tetrahydro-2H-pyran-4-carbonitrile 3-((Dimethylamino)methyl)-5-methylhexan-2-one oxalate 1,4-Dioxa-8-azaspiro[4.5]decane 5-Bromo-2-nitropyridine Nimesulide BP Aceclofenac IP/BP/EP Mefenamic Acid IP/BP/EP/USP Diclofenac Sodium IP/BP/EP/USP Ornidazole IP Diclofenac Potassium SODIUM AAS SOLUTION ZINC AAS SOLUTION BUFFER SOLUTION PH 10.0(BORATE) GOOCH CRUCIBLE SINTERED AQUANIL 5 BERYLLIUM AAS SOLUTION 2-Bromo-1-(bromomethyl)-3-chloro-5-nitrobenzene 2-Bromo-3-nitroaniline N-(3-Hydroxypropyl)-N-methylacetamide 3-Bromo-6-chloropyridazine 4-ethyl-3-nitrobenzoic acidRelated products of tetrahydrofuran
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