Piperidine, 1-((2-(phenoxymethyl)cyclopropyl)carbonyl)-, trans-

Base Information

• Chemical Name: Piperidine, 1-((2-(phenoxymethyl)cyclopropyl)carbonyl)-, trans-
• CAS No.: 102617-10-7
• Molecular Formula: C₁₆H₂₁NO₂
• Molecular Weight: 259.348
• DSSTox Substance ID: DTXSID50145410
• Wikidata: Q76423310
• Mol file: 102617-10-7.mol

Synonyms:BRN 5563109;Piperidine, 1-((2-(phenoxymethyl)cyclopropyl)carbonyl)-, trans-;102617-10-7;trans-1-((2-(Phenoxymethyl)cyclopropyl)carbonyl)piperidine;DTXSID50145410

Chemical Property of Piperidine, 1-((2-(phenoxymethyl)cyclopropyl)carbonyl)-, trans-

Chemical Property:

• Vapor Pressure: 2.32E-07mmHg at 25°C
• Boiling Point: 422.9°C at 760 mmHg
• PKA: -0.54±0.20(Predicted)
• Flash Point: 209.6°C
• PSA: 29.54000
• Density: 1.139g/cm³
• LogP: 2.65190
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 259.157228913
• Heavy Atom Count: 19
• Complexity: 306

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)C(=O)C2CC2COC3=CC=CC=C3
• Isomeric SMILES: C1CCN(CC1)C(=O)[C@@H]2C[C@H]2COC3=CC=CC=C3

Technology Process of Piperidine, 1-((2-(phenoxymethyl)cyclopropyl)carbonyl)-, trans-

There total 4 articles about Piperidine, 1-((2-(phenoxymethyl)cyclopropyl)carbonyl)-, trans- 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: 58.0%

piperidine (110-89-4) + trans-2-phenoxymethylcyclopropane-1-carbonyl chloride (102617-03-8) → ((1S,2S)-2-Phenoxymethyl-cyclopropyl)-piperidin-1-yl-methanone (102617-10-7)

Guidance literature:

With triethylamine; In benzene; Heating;

Reference yield:

Phenyl glycidyl ether (122-60-1,71031-02-2) → ((1S,2S)-2-Phenoxymethyl-cyclopropyl)-piperidin-1-yl-methanone (102617-10-7)

Guidance literature:

Multi-step reaction with 4 steps

1: 7 g / 8 h / 195 - 200 °C

2: 88 percent / 10 N KOH / ethanol / 28 h / Heating

3: 1.25 g / SOCl₂ / benzene / 4 h / Heating

4: 58 percent / triethylamine / benzene / Heating

With potassium hydroxide; thionyl chloride; triethylamine; In ethanol; benzene;

Reference yield:

trans-2-phenoxymethylcyclopropane-1-carboxylic acid (102617-01-6,102617-02-7,121185-32-8) → ((1S,2S)-2-Phenoxymethyl-cyclopropyl)-piperidin-1-yl-methanone (102617-10-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.25 g / SOCl₂ / benzene / 4 h / Heating

2: 58 percent / triethylamine / benzene / Heating

With thionyl chloride; triethylamine; In benzene;

upstream raw materials:

piperidine

trans-2-phenoxymethylcyclopropane-1-carbonyl chloride

Phenyl glycidyl ether

trans-2-phenoxymethylcyclopropane-1-carboxylic acid