3-(4-(Trifluoromethyl)phenoxy)azetidine

Base Information

• Chemical Name: 3-(4-(Trifluoromethyl)phenoxy)azetidine
• CAS No.: 76263-21-3
• Molecular Formula: C10H10F3NO
• Molecular Weight: 217.191
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID20510494
• Wikidata: Q72512214
• Mol file: 76263-21-3.mol

Synonyms:76263-21-3;3-(4-(trifluoromethyl)phenoxy)azetidine;3-[4-(TRIFLUOROMETHYL)PHENOXY]AZETIDINE;3-(4-TRIFLUOROMETHYL-PHENOXY)-AZETIDINE;MFCD09264492;3-(4-Trifluoromethylphenoxy)azetidine;SCHEMBL3004210;DTXSID20510494;AKOS012078365;3-(4-trifluoromethylphenoxy) azetidine;BS-42897;SY321947;A9664;BB 0261636;CS-0183142;FT-0737697;F13503;EN300-1931698

Chemical Property of 3-(4-(Trifluoromethyl)phenoxy)azetidine

Chemical Property:

• Vapor Pressure: 0.0146mmHg at 25°C
• Refractive Index: 1.481
• Boiling Point: 257.3 °C at 760 mmHg
• Flash Point: 109.4 °C
• PSA: 21.26000
• Density: 1.277 g/cm³
• LogP: 2.38480
• Storage Temp.: 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 217.07144843
• Heavy Atom Count: 15
• Complexity: 207

Purity/Quality:

98%min ^*data from raw suppliers

3-[4-(Trifluoromethyl)phenoxy]azetidine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(CN1)OC2=CC=C(C=C2)C(F)(F)F

Technology Process of 3-(4-(Trifluoromethyl)phenoxy)azetidine

There total 4 articles about 3-(4-(Trifluoromethyl)phenoxy)azetidine 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: 80.0%

1-(diphenylmethyl)-3-[4-(trifluoromethyl)phenoxy]azetidine (232600-32-7) → 3-[4-(trifluoromethyl)phenoxy]azetidine (76263-21-3)

Guidance literature:

With hydrogen; Pearlman's catalist; In methanol; at 60 ℃; for 18h; under 2327.23 Torr;

Reference yield: 75.0%

tert-butyl 3-(4-(trifluoromethyl)phenoxy)azetidine-1-carboxylate → 3-[4-(trifluoromethyl)phenoxy]azetidine (76263-21-3)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 8h;

Reference yield:

4-hydroxybenzotrifluoride (402-45-9) + tert-butyl 3-hydroxyazetidine-1-carboxylate (141699-55-0) → 3-[4-(trifluoromethyl)phenoxy]azetidine (76263-21-3)

Guidance literature:

With di-isopropyl azodicarboxylate; triphenylphosphine; In tetrahydrofuran; at 20 ℃; for 48h;

upstream raw materials:

1-(diphenylmethyl)-3-[4-(trifluoromethyl)phenoxy]azetidine

4-hydroxybenzotrifluoride

tert-butyl 3-hydroxyazetidine-1-carboxylate

Downstream raw materials:

N-Ethyl-3-[4-(trifluoromethyl)phenoxy]-1-azetidinecarboxamide

Refernces

• 1、 -. "NEW HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS". Page/Page column 64; 188. . Retrieved 2020/03/05.
• 2、 -. "PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS". Paragraph 0438-0439. . Retrieved 2013/10/08.