TRV 130

Base Information

• Chemical Name: TRV 130
• CAS No.: 1401028-24-7
• Molecular Formula: C22H30N2O2S
• Molecular Weight: 386.55
• Mol file: 1401028-24-7.mol

Synonyms:TRV 130;Oliceridine;(9R)-N-[(3-Methoxy-2-thienyl)methyl]-9-(2-pyridinyl)-6-oxaspiro[4.5]decane-9-ethanamine

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Chemical Property of TRV 130

Chemical Property:

• Boiling Point: 526.5±45.0 °C(Predicted)
• PKA: 8.38±0.19(Predicted)
• PSA: 71.62000
• Density: 1.17±0.1 g/cm3(Predicted)
• LogP: 5.08350

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: TRV-130 is used for drug discovery and designing ideal opioids in pharmacological activity, therapeutic use, and biological study.

Technology Process of TRV 130

There total 9 articles about TRV 130 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:

2-[(9R)-9-(pyridin-2-yl)-6-oxaspiro[4.5]decan-9-yl]acetaldehyde (1401031-28-4) + (3-methoxythiophen-2-yl)methylamine (946409-37-6) → TRV-130 (1401028-24-7)

Guidance literature:

2-[(9R)-9-(pyridin-2-yl)-6-oxaspiro[4.5]decan-9-yl]acetaldehyde; (3-methoxythiophen-2-yl)methylamine; With sodium sulfate; In dichloromethane;

With sodium tetrahydroborate; In dichloromethane; for 0.166667h;

With methanol; In dichloromethane; for 1h;

Reference yield:

6-oxa-spiro[4.5]decan-9-one (855398-57-1) → TRV-130 (1401028-24-7)

Guidance literature:

Multi-step reaction with 6 steps

1.1: acetic acid; ammonium acetate / toluene / 4 h / Dean-Stark; Reflux

2.1: isopropylmagnesium chloride / tetrahydrofuran / 4.5 h / 0 - 20 °C

2.2: 0.5 h / 20 °C

2.3: 16 h / 20 °C

3.1: potassium hydroxide / ethylene glycol / 4 h / 120 °C

4.1: Column: Chiralpak AD-H / Resolution of racemate

5.1: diisobutylaluminium hydride / toluene / 2 h / -78 - 20 °C / Inert atmosphere

6.1: sodium sulfate / dichloromethane

6.2: 0.17 h

6.3: 1 h

With ammonium acetate; isopropylmagnesium chloride; diisobutylaluminium hydride; acetic acid; sodium sulfate; potassium hydroxide; In tetrahydrofuran; dichloromethane; ethylene glycol; toluene;

Reference yield:

methyl 2-cyano-2-[6-oxaspiro[4.5]decan-9-ylidene]acetate → TRV-130 (1401028-24-7)

Guidance literature:

Multi-step reaction with 5 steps

1.1: isopropylmagnesium chloride / tetrahydrofuran / 4.5 h / 0 - 20 °C

1.2: 0.5 h / 20 °C

1.3: 16 h / 20 °C

2.1: potassium hydroxide / ethylene glycol / 4 h / 120 °C

3.1: Column: Chiralpak AD-H / Resolution of racemate

4.1: diisobutylaluminium hydride / toluene / 2 h / -78 - 20 °C / Inert atmosphere

5.1: sodium sulfate / dichloromethane

5.2: 0.17 h

5.3: 1 h

With isopropylmagnesium chloride; diisobutylaluminium hydride; sodium sulfate; potassium hydroxide; In tetrahydrofuran; dichloromethane; ethylene glycol; toluene;

upstream raw materials:

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

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

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

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