1-Benzyl-3-hydroxypiperidine-3-carbonitrile

Base Information

• Chemical Name: 1-Benzyl-3-hydroxypiperidine-3-carbonitrile
• CAS No.: 150018-99-8
• Molecular Formula: C13H16N2O
• Molecular Weight: 216.28
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID80656029
• Mol file: 150018-99-8.mol

Synonyms:1-BENZYL-3-HYDROXYPIPERIDINE-3-CARBONITRILE;150018-99-8;SCHEMBL3495380;DTXSID80656029;ZGGPVFSWIRIZNF-UHFFFAOYSA-N;FT-0759373;A808996

Chemical Property of 1-Benzyl-3-hydroxypiperidine-3-carbonitrile

Chemical Property:

• Refractive Index: 1.592
• Boiling Point: 376.1 °C at 760 mmHg
• PKA: 10.96±0.20(Predicted)
• Flash Point: 181.2 °C
• PSA: 47.26000
• Density: 1.17g/cm³
• LogP: 1.47498
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 216.126263138
• Heavy Atom Count: 16
• Complexity: 277

Purity/Quality:

97% ^*data from raw suppliers

1-Benzyl-3-hydroxypiperidine-3-carbonitrile 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC(CN(C1)CC2=CC=CC=C2)(C#N)O

Technology Process of 1-Benzyl-3-hydroxypiperidine-3-carbonitrile

There total 2 articles about 1-Benzyl-3-hydroxypiperidine-3-carbonitrile 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:

sodium cyanide (773837-37-9) + N-benzyl-3-piperidinone hydrochloride (50606-58-1) → 1-benzyl-3-hydroxypiperidine-3-carbonitrile (150018-99-8)

Guidance literature:

With sodium hydrogensulfite; In tetrahydrofuran; water; at 0 ℃; for 1.5h;

Reference yield:

1-benzyl-3-piperidone (40114-49-6) + potassium cyanide (151-50-8) → 1-benzyl-3-hydroxypiperidine-3-carbonitrile (150018-99-8)

Guidance literature:

With sodium hydrogensulfide; In water; at 0 ℃; for 1h;

DOI:10.1021/jm00068a005

Reference yield:

methanol (67-56-1) + 1-benzyl-3-hydroxypiperidine-3-carbonitrile (150018-99-8) → 3-hydroxy-3-(methoxycarbonyl)-1-(phenylmethyl)piperidine (112197-88-3)

Guidance literature:

With hydrogenchloride; In diethyl ether; at 4 ℃; Yield given;

DOI:10.1021/jm00068a005

upstream raw materials:

1-benzyl-3-piperidone

potassium cyanide

sodium cyanide

N-benzyl-3-piperidinone hydrochloride

Downstream raw materials:

3-hydroxy-3-(methoxycarbonyl)-1-(phenylmethyl)piperidine

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