4-Phenyl-4-piperidinecarboxaldehyde

Base Information

• Chemical Name: 4-Phenyl-4-piperidinecarboxaldehyde
• CAS No.: 6952-94-9
• Molecular Formula: C12H15 N O
• Molecular Weight: 189.257
• Hs Code.: 2933399090
• European Community (EC) Number: 230-133-1
• NSC Number: 70851
• UNII: B1Q6HX2F69
• DSSTox Substance ID: DTXSID60219777
• Nikkaji Number: J77.365D
• Wikidata: Q83096770
• Mol file: 6952-94-9.mol

Synonyms:4-Phenyl-4-piperidinecarboxaldehyde;4-Phenylpiperidine-4-carbaldehyde;6952-94-9;4-Piperidinecarboxaldehyde, 4-phenyl-;EINECS 230-133-1;NSC 70851;4-Fenil-4-formilpiperidina [Italian];4-Fenil-4-formilpiperidina;BRN 1529043;B1Q6HX2F69;4-phenyl-4-piperidinecarbaldehyde;NSC-70851;2723 I.S.;NSC70851;UNII-B1Q6HX2F69;DIALLYLAMINEHYDROCHLORIDE;SCHEMBL5635581;DTXSID60219777;ISONIPECOTALDEHYDE, 4-PHENYL-;AKOS006274298;2723 I.S;LS-114495;FT-0636311;EN300-6430535

Chemical Property of 4-Phenyl-4-piperidinecarboxaldehyde

Chemical Property:

• Vapor Pressure: 0.000627mmHg at 25°C
• Refractive Index: 1.5400 (estimate)
• Boiling Point: 309.8°C at 760 mmHg
• Flash Point: 124.7°C
• PSA: 29.10000
• Density: 1.102g/cm³
• LogP: 1.83550
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 189.115364102
• Heavy Atom Count: 14
• Complexity: 191

Purity/Quality:

99%, ^*data from raw suppliers

4-Phenyl-4-piperidinecarboxaldehyde 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCCC1(C=O)C2=CC=CC=C2

Technology Process of 4-Phenyl-4-piperidinecarboxaldehyde

There total 1 articles about 4-Phenyl-4-piperidinecarboxaldehyde 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:

4-cyano-4-phenylpiperidine hydrochloride (51304-58-6) → 4-phenyl-piperidine-4-carbaldehyde (6952-94-9)

Guidance literature:

With diisobutylaluminium hydride; In toluene; at -78 ℃; for 2h;

DOI:10.1021/jm980376b

Reference yield:

4-phenyl-piperidine-4-carbaldehyde (6952-94-9) → 4-[3-(3,5-Bis-trifluoromethyl-phenyl)-propyl]-4-phenyl-piperidine-1-carboxylic acid tert-butyl ester

Guidance literature:

Multi-step reaction with 6 steps

1: Et₃N / CH₂Cl₂ / Ambient temperature

2: 73 percent / NaH / dimethylformamide / 1 h

3: 98 percent / H₂ / 10percent Pd/C / ethanol / 16 h / 2585.7 Torr

4: 64 percent / NaBH₄ / methanol / 1 h

5: 4-(dimethylamino)pyridine / CH₂Cl₂ / 16 h / 20 °C

6: α,α-azoisobutyronitrile, tributyltin hydride / toluene / 5 h / Heating

With dmap; sodium tetrahydroborate; azobisisobutyronitrile; hydrogen; tri-n-butyl-tin hydride; sodium hydride; triethylamine; palladium on activated charcoal; In methanol; ethanol; dichloromethane; N,N-dimethyl-formamide; toluene;

DOI:10.1021/jm980376b

Reference yield:

4-phenyl-piperidine-4-carbaldehyde (6952-94-9) → 4-(3-(3',5'-Bis(trifluoromethyl)phenyl)propyl)-4-phenylpiperidine Hydrochloride

Guidance literature:

Multi-step reaction with 7 steps

1: Et₃N / CH₂Cl₂ / Ambient temperature

2: 73 percent / NaH / dimethylformamide / 1 h

3: 98 percent / H₂ / 10percent Pd/C / ethanol / 16 h / 2585.7 Torr

4: 64 percent / NaBH₄ / methanol / 1 h

5: 4-(dimethylamino)pyridine / CH₂Cl₂ / 16 h / 20 °C

6: α,α-azoisobutyronitrile, tributyltin hydride / toluene / 5 h / Heating

7: HCl / diethyl ether / 16 h

With hydrogenchloride; dmap; sodium tetrahydroborate; azobisisobutyronitrile; hydrogen; tri-n-butyl-tin hydride; sodium hydride; triethylamine; palladium on activated charcoal; In methanol; diethyl ether; ethanol; dichloromethane; N,N-dimethyl-formamide; toluene;

DOI:10.1021/jm980376b

upstream raw materials:

4-cyano-4-phenylpiperidine hydrochloride

Downstream raw materials:

1-(2-morpholin-4-yl-ethyl)-4-phenyl-piperidine-4-carbaldehyde

4-[3-(3,5-Bis-trifluoromethyl-phenyl)-3-oxo-propyl]-4-phenyl-piperidine-1-carboxylic acid tert-butyl ester

4-[3-(3,5-Bis-trifluoromethyl-phenyl)-3-hydroxy-propyl]-4-phenyl-piperidine-1-carboxylic acid tert-butyl ester

Refernces