3-[4-(Trifluoromethyl)phenoxy]pyrrolidine

Base Information

Chemical Name:3-[4-(Trifluoromethyl)phenoxy]pyrrolidine
CAS No.:308386-24-5
Molecular Formula:C11H12F3NO
Molecular Weight:231.218
Hs Code.:2933990090
DSSTox Substance ID:DTXSID80595828
Mol file:308386-24-5.mol

Synonyms:3-[4-(TRIFLUOROMETHYL)PHENOXY]PYRROLIDINE;308386-24-5;Pyrrolidine, 3-[4-(trifluoromethyl)phenoxy]-;3-(4-(trifluoromethyl)phenoxy)pyrrolidine;SCHEMBL3071569;DTXSID80595828;AKOS011611434;3-(4-trifluoromethyl-phenoxy)-pyrrolidine;DB-347536;EN300-1933545;A1-19860

Suppliers and Price of 3-[4-(Trifluoromethyl)phenoxy]pyrrolidine

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
3-(4-TRIFLUOROMETHYL-PHENOXY)-PYRROLIDINE 95.00%
5MG
$ 496.42

A1 Biochem Labs
3-[4-(Trifluoromethyl)phenoxy]pyrrolidine 95%
5 g
$ 1025.00

Total 4 raw suppliers

Chemical Property of 3-[4-(Trifluoromethyl)phenoxy]pyrrolidine

Chemical Property:

Boiling Point:276.8±40.0 °C(Predicted)
PKA:9.16±0.10(Predicted)
PSA：21.26000
Density:1.231±0.06 g/cm3(Predicted)
LogP:2.77490
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:231.08709849
Heavy Atom Count:16
Complexity:224

Purity/Quality:

97% ^*data from raw suppliers

3-(4-TRIFLUOROMETHYL-PHENOXY)-PYRROLIDINE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CNCC1OC2=CC=C(C=C2)C(F)(F)F

Technology Process of 3-[4-(Trifluoromethyl)phenoxy]pyrrolidine

There total 2 articles about 3-[4-(Trifluoromethyl)phenoxy]pyrrolidine 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: 69.0%

: 308386-23-4
tert-butyl 3-(4-(trifluoromethyl)phenoxy)pyrrolidine-1-carboxylate

: 308386-24-5
3-(4-(trifluoromethyl)phenoxy)pyrrolidine

Guidance literature:: tert-butyl 3-(4-(trifluoromethyl)phenoxy)pyrrolidine-1-carboxylate; With water; trifluoroacetic acid; In 1,4-dioxane; at 0 - 20 ℃; for 3h;

With sodium hydroxide; In water;

Reference yield:

: 402-45-9
4-hydroxybenzotrifluoride

: 308386-24-5
3-(4-(trifluoromethyl)phenoxy)pyrrolidine

Guidance literature:: Multi-step reaction with 2 steps

1: triphenylphosphine; di-isopropyl azodicarboxylate / tetrahydrofuran / 48 h / 20 °C

2: trifluoroacetic acid / dichloromethane / 3 h / 20 °C

With di-isopropyl azodicarboxylate; triphenylphosphine; trifluoroacetic acid; In tetrahydrofuran; dichloromethane;

Reference yield:

: 308386-24-5
3-(4-(trifluoromethyl)phenoxy)pyrrolidine

: 308386-26-7
2-[3-(4-trifluoromethyl-phenoxy)-pyrrolidine-1-sulfonyl]-benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: Et₃N / acetonitrile

2: aq. KOH / ethanol

With potassium hydroxide; triethylamine; In ethanol; acetonitrile;
DOI:10.1016/S0960-894X(00)00584-9