3-(4-Piperidinyloxy)benzonitrile hydrochloride

Base Information

• Chemical Name: 3-(4-Piperidinyloxy)benzonitrile hydrochloride
• CAS No.: 950649-07-7
• Molecular Formula: C12H15ClN2O
• Molecular Weight: 238.717
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID20700656
• Mol file: 950649-07-7.mol

Synonyms:950649-07-7;3-(4-PIPERIDINYLOXY)BENZONITRILE HYDROCHLORIDE;3-piperidin-4-yloxybenzonitrile;hydrochloride;3-(PIPERIDIN-4-YLOXY)BENZONITRILE HYDROCHLORIDE;3-(4-Piperidinyloxy)-benzonitrile HCl;SCHEMBL69675;DTXSID20700656;YRNQJNMHJHPFRA-UHFFFAOYSA-N;MFCD11977714;3-(4-Piperidinyloxy)benzonitrile HCl;4-(3-Cyanophenyloxy)piperidine Hydrochloride;CS-0237856;3-(4-Piperidinyloxy)-benzonitrile hydrochloride;3-(4-Piperidinyloxy)-benzonitrilehydrochloride;C78624;3-(piperidin-4-yloxy)-benzonitrile hydrochloride;EN300-18757215;Z4436596347;3-[(Piperidin-4-yl)oxy]benzonitrile--hydrogen chloride (1/1)

Chemical Property of 3-(4-Piperidinyloxy)benzonitrile hydrochloride

Chemical Property:

• PSA: 45.05000
• LogP: 2.81988
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 238.0872908
• Heavy Atom Count: 16
• Complexity: 239

Purity/Quality:

97% ^*data from raw suppliers

3-(4-Piperidinyloxy)benzonitrile hydrochloride, 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCCC1OC2=CC=CC(=C2)C#N.Cl

Technology Process of 3-(4-Piperidinyloxy)benzonitrile hydrochloride

There total 3 articles about 3-(4-Piperidinyloxy)benzonitrile hydrochloride 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:

tert-butyl 4-(3-cyanophenoxy)piperidine-1-carboxylate (950649-06-6) → 3-(piperidin-4-yloxy)benzonitrile hydrochloride (950649-07-7)

Guidance literature:

With hydrogenchloride; water; In 1,4-dioxane; at 20 ℃;

Reference yield:

m-Fluorobenzonitrile (403-54-3) → 3-(piperidin-4-yloxy)benzonitrile hydrochloride (950649-07-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydride / N,N-dimethyl-formamide / 1 h / 20 °C

1.2: 0.5 h / 60 °C

2.1: hydrogenchloride; water / 1,4-dioxane / 20 °C

With hydrogenchloride; water; sodium hydride; In 1,4-dioxane; N,N-dimethyl-formamide;

Reference yield:

→ 3-(piperidin-4-yloxy)benzonitrile hydrochloride (950649-07-7)

Guidance literature:

upstream raw materials:

tert-butyl 4-(3-cyanophenoxy)piperidine-1-carboxylate

m-Fluorobenzonitrile

Downstream raw materials:

5-phenyl-1H-pyrazole-3-carboxylic acid {2-[4-(3-cyano-phenoxy)-piperidin-1-yl]-2-oxo-ethyl}-amide

N-biphenyl-4-yl-3-[4-(3-cyano-phenoxy)-piperidin-1-yl]-3-oxo-propionamide

1-phenyl-1H-[1,2,3]triazole-4-carboxylic acid {2-[4-(3-cyanophenoxy)piperidin-1-yl]-2-oxoethyl}amide

1-pyridin-3-yl-1H-[1,2,3]triazole-4-carboxylic acid {2-[4-(3-cyano-phenoxy)-piperidin-1-yl]-2-oxo-ethyl}-amide