2-[(9R)-9-(pyridin-2-yl)-6-oxaspiro[4.5]decan-9-yl]acetonitrile

Base Information

• Chemical Name: 2-[(9R)-9-(pyridin-2-yl)-6-oxaspiro[4.5]decan-9-yl]acetonitrile
• CAS No.: 1401031-38-6
• Molecular Formula: C₁₆H₂₀N₂O
• Molecular Weight: 256.348
• Mol file: 1401031-38-6.mol

Synonyms:2-[(9R)-9-(pyridin-2-yl)-6-oxaspiro[4.5]decan-9-yl]acetonitrile;(R)-2-(9-(Pyridin-2-yl)-6-oxaspiro[4.5]decan-9-yl)acetonitrile;(9R)-9-(2-Pyridinyl)-6-oxaspiro[4.5]decane-9-acetonitrile

Chemical Property of 2-[(9R)-9-(pyridin-2-yl)-6-oxaspiro[4.5]decan-9-yl]acetonitrile

Chemical Property:

• Boiling Point: 445.3±25.0 °C(Predicted)
• PKA: 5.41±0.19(Predicted)
• PSA: 45.91000
• Density: 1.13±0.1 g/cm3(Predicted)
• LogP: 3.35628
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)

Purity/Quality:

99%, ^*data from raw suppliers

(9R)-9-(2-Pyridinyl)-6-oxaspiro[4.5]decane-9-acetonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: (9R)-9-(2-Pyridinyl)-6-oxaspiro[4.5]decane-9-acetonitrile, can be used in the synthesis of chemical compounds having therapeutic activity, such as [(3-Methoxythiophen-2-yl)methyl]({2-[(9R)9-(pyridin-2-yl)-6-oxaspiro-[4.5]decan-9-yl]ethyl})amine, that can be used for the treatment of acute pain.

Technology Process of 2-[(9R)-9-(pyridin-2-yl)-6-oxaspiro[4.5]decan-9-yl]acetonitrile

There total 12 articles about 2-[(9R)-9-(pyridin-2-yl)-6-oxaspiro[4.5]decan-9-yl]acetonitrile 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: 45.0%

2-[9-(pyridin-2-yl)-6-oxaspiro[4.5]decan-9-yl]acetonitrile (1401031-37-5) → 2-[(9R)-9-(pyridin-2-yl)-6-oxaspiro[4.5]decan-9-yl]acetonitrile (1401031-38-6,1401031-37-5)

Guidance literature:

Resolution of racemate;

Reference yield: 40.0%

2-[9-(pyridin-2-yl)-6-oxaspiro[4.5]decan-9-yl]acetonitrile (1401031-37-5) → 2-[(9R)-9-(pyridin-2-yl)-6-oxaspiro[4.5]decan-9-yl]acetonitrile (1401031-38-6,1401031-37-5) + 2-[(9S)-9-(pyridin-2-yl)-6-oxaspiro[4.5]decan-9-yl]acetonitrile (1401031-37-5)

Guidance literature:

With AD-H column; In methanol; diethylamine; Resolution of racemate;

DOI:10.1021/jm4010829

Reference yield:

6-oxa-spiro[4.5]decan-9-one (855398-57-1) → 2-[(9R)-9-(pyridin-2-yl)-6-oxaspiro[4.5]decan-9-yl]acetonitrile (1401031-38-6,1401031-37-5)

Guidance literature:

Multi-step reaction with 4 steps

1: ammonium acetate; acetic acid / benzene / Reflux; Dean-Stark

2: copper(l) iodide / tetrahydrofuran; diethyl ether / 0.5 h / 20 °C / Cooling with ice

3: potassium hydroxide / ethylene glycol / 3 h / 120 °C

4: AD-H column / methanol; diethylamine / Resolution of racemate

With copper(l) iodide; ammonium acetate; acetic acid; potassium hydroxide; In tetrahydrofuran; methanol; diethyl ether; ethylene glycol; diethylamine; benzene; 1: |Knoevenagel Condensation / 2: |Michael Addition;

DOI:10.1021/jm4010829

upstream raw materials:

6-oxa-spiro[4.5]decan-9-one

2-[9-(pyridin-2-yl)-6-oxaspiro[4.5]decan-9-yl]acetonitrile

cyclopentanone

(+/-)-6-oxaspiro[4.5]decan-9-ol

Downstream raw materials:

TRV-130

2-[(9R)-9-(pyridin-2-yl)-6-oxaspiro[4.5]decan-9-yl]acetaldehyde

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