3-[2-(Trifluoromethyl)phenoxy]azetidine Hydrochloride

Base Information

• Chemical Name: 3-[2-(Trifluoromethyl)phenoxy]azetidine Hydrochloride
• CAS No.: 82622-46-6
• Molecular Formula: C10H10F3NO.ClH
• Molecular Weight: 253.652
• European Community (EC) Number: 830-566-1
• Mol file: 82622-46-6.mol

Synonyms:82622-46-6;3-[2-(Trifluoromethyl)phenoxy]azetidine Hydrochloride;3-(2-(Trifluoromethyl)phenoxy)azetidine hydrochloride;3-(2-Trifluoromethyl-phenoxy)-azetidine hydrochloride;3-[2-(trifluoromethyl)phenoxy]azetidine;hydrochloride;SCHEMBL3951369;MFCD11849028;SB38891;F94935;EN300-6499413;3-(2-(Trifluoromethyl)phenoxy)azetidinehydrochloride;3-(2-(trifluoromethyl)phenoxy)-azetidine hydrochloride

Chemical Property of 3-[2-(Trifluoromethyl)phenoxy]azetidine Hydrochloride

Chemical Property:

• PSA: 21.26000
• LogP: 3.18680
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 253.0481262
• Heavy Atom Count: 16
• Complexity: 215

Purity/Quality:

97% ^*data from raw suppliers

3-[2-(Trifluoromethyl)phenoxy]azetidine hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(CN1)OC2=CC=CC=C2C(F)(F)F.Cl

Technology Process of 3-[2-(Trifluoromethyl)phenoxy]azetidine Hydrochloride

There total 3 articles about 3-[2-(Trifluoromethyl)phenoxy]azetidine 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: 83.0%

tert-butyl 3-(2-(trifluoromethyl)phenoxy)-azetidine-1-carboxylate (960492-52-8) → 3-(2-(trifluoromethyl)phenoxy)azetidine hydrochloride (82622-46-6)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; dichloromethane;

DOI:10.1016/j.bmcl.2010.10.107

Reference yield:

C29H24F3NO → 3-(2-(trifluoromethyl)phenoxy)azetidine hydrochloride (82622-46-6)

Guidance literature:

C₂₉H₂₄F₃NO; With carbonochloridic acid 1-chloro-ethyl ester; In 1,2-dichloro-ethane; at 70 ℃; for 8h;

With methanol; In 1,2-dichloro-ethane; at 70 ℃;

Reference yield:

2-(trifluoromethyl)phenol (444-30-4) → 3-(2-(trifluoromethyl)phenoxy)azetidine hydrochloride (82622-46-6)

Guidance literature:

Multi-step reaction with 2 steps

1: tributylphosphine; 1,1'-azodicarbonyl-dipiperidine / tetrahydrofuran / 16 h / Heating / reflux

2: hydrogenchloride / 1,4-dioxane; dichloromethane / 16 h / 25 °C

With hydrogenchloride; tributylphosphine; 1,1'-azodicarbonyl-dipiperidine; In tetrahydrofuran; 1,4-dioxane; dichloromethane;

upstream raw materials:

tert-butyl 3-(2-(trifluoromethyl)phenoxy)-azetidine-1-carboxylate

2-(trifluoromethyl)phenol

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