4-[4-(Trifluoromethoxy)phenoxy]piperidine

Base Information

• Chemical Name: 4-[4-(Trifluoromethoxy)phenoxy]piperidine
• CAS No.: 287952-67-4
• Molecular Formula: C12H14 F3 N O2
• Molecular Weight: 261.244
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID50583030
• Nikkaji Number: J2.566.038B
• Wikidata: Q82474540
• Mol file: 287952-67-4.mol

Synonyms:4-[4-(Trifluoromethoxy)phenoxy]piperidine;287952-67-4;4-(4-(Trifluoromethoxy)phenoxy)piperidine;4-(4-TRIFLUOROMETHOXYPHENOXY)PIPERIDINE;Piperidine, 4-[4-(trifluoromethoxy)phenoxy]-;MFCD06656166;4-(4-TRIFLUOROMETHOXYPHENOXY) PIPERIDINE;4-(4-Trifluoromethoxy-Phenoxy)-Piperidine;SCHEMBL1673897;AMY5283;DTXSID50583030;AKOS005257692;SB14864;AC-26466;AC-33588;AS-13095;SY099473;4-(4-(trifluoromethoxy)phenoxy) piperidine;4-[4-(trifluoromethoxy)-phenoxy]piperidine;4-[4-(trifluoromethoxy)phenoxy]-piperidine;CS-0051074;T3349;EN300-316859;4-[4-(Trifluoromethoxy)phenoxy]piperidine, AldrichCPR

Chemical Property of 4-[4-(Trifluoromethoxy)phenoxy]piperidine

Chemical Property:

• Vapor Pressure: 0.00151mmHg at 25°C
• Melting Point: 71-73℃
• Boiling Point: 292.2°Cat760mmHg
• PKA: 9.65±0.10(Predicted)
• Flash Point: 130.5°C
• PSA: 30.49000
• Density: 1.23g/cm³
• LogP: 3.04480
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 261.09766318
• Heavy Atom Count: 18
• Complexity: 246

Purity/Quality:

99.5%+ ^*data from raw suppliers

4-[4-(Trifluoromethoxy)phenoxy]piperidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCCC1OC2=CC=C(C=C2)OC(F)(F)F
• Uses: 4-[4-(Trifluoromethoxy)phenoxy]piperidine is used in the preparation of 3,5-disubstituted isoxazolines as antituberculosis agents.

Technology Process of 4-[4-(Trifluoromethoxy)phenoxy]piperidine

There total 11 articles about 4-[4-(Trifluoromethoxy)phenoxy]piperidine 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: 99.0%

4-[(4-trifluoromethoxy)phenyl]methoxypiperidine-1-formic acid tert-butyl ester (287952-21-0) → 4-(4-(trifluoromethoxy)phenoxy)piperidine (287952-67-4)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; at 20 ℃; for 3h;

Reference yield: 99.0%

4-[4-(trifluoromethoxy)phenoxy]piperidine acetate → 4-(4-(trifluoromethoxy)phenoxy)piperidine (287952-67-4)

Guidance literature:

With sodium hydroxide; In water; at 10 - 15 ℃; for 1h; Reagent/catalyst;

Reference yield: 98.0%

1-ethoxycarbonyl-4-(4-trifluoromethoxy-phenoxy)-piperidine (1083099-51-7) → 4-(4-(trifluoromethoxy)phenoxy)piperidine (287952-67-4)

Guidance literature:

With potassium hydroxide; 2-methyl-propan-1-ol; at 100 ℃; for 2h; Product distribution / selectivity;

upstream raw materials:

tert-butyl 4-(4-(trifluoromethoxy)phenoxy)piperidin-1-carboxylate

1-ethoxycarbonyl-4-(4-trifluoromethoxy-phenoxy)-piperidine

4-(4-trifluoromethoxy-phenoxy)-pyridine

4-trifluoromethoxybenzyl bromide

Downstream raw materials:

2-[4-(4-trifluoromethoxy-phenoxy)-piperidine-1-sulfonyl]-benzoic acid ethyl ester

1-[4-(tetrahydropyran-2-yloxy)phenyl]-4-(4-trifluoromethoxyphenoxy)piperidine

2-[4-(4-trifluoromethoxy-phenoxy)-piperidine-1-sulfonyl]-benzoic acid

N-(tetrahydro-pyran-2-yloxy)-2-[4-(4-trifluoromethoxy-phenoxy)-piperidine-1-sulfonyl]-benzamide