4-[(Pyrrolidin-3-yl)oxy]benzonitrile

Base Information

Chemical Name:4-[(Pyrrolidin-3-yl)oxy]benzonitrile
CAS No.:124731-65-3
Molecular Formula:C₁₁H₁₂N₂O
Molecular Weight:188.229
Hs Code.:
DSSTox Substance ID:DTXSID00559583
Mol file:124731-65-3.mol

Synonyms:124731-65-3;4-pyrrolidin-3-yloxybenzonitrile;4-[(Pyrrolidin-3-yl)oxy]benzonitrile;4-(Pyrrolidin-3-yloxy)-benzonitrile;4-(pyrrolidin-3-yloxy)benzonitrile;S-4-(3-PYRROLIDINYLOXY)-BENZONITRILE;124817-92-1;SCHEMBL13636042;DTXSID00559583;AKOS011632978;EN300-1841338

Suppliers and Price of 4-[(Pyrrolidin-3-yl)oxy]benzonitrile

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
4-(PYRROLIDIN-3-YLOXY)BENZONITRILE 95.00%
5MG
$ 504.55

Total 5 raw suppliers

Chemical Property of 4-[(Pyrrolidin-3-yl)oxy]benzonitrile

Chemical Property:

PSA：45.05000
LogP:1.62778
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:188.094963011
Heavy Atom Count:14
Complexity:225

Purity/Quality:

99% ^*data from raw suppliers

4-(PYRROLIDIN-3-YLOXY)BENZONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CNCC1OC2=CC=C(C=C2)C#N

Technology Process of 4-[(Pyrrolidin-3-yl)oxy]benzonitrile

There total 1 articles about 4-[(Pyrrolidin-3-yl)oxy]benzonitrile 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:

: 767-00-0
4-cyanophenol

: 124731-65-3,124817-92-1
3-(4-cyanophenoxy)pyrrolidine

Guidance literature:: Multi-step reaction with 2 steps

1: potassium carbonate / acetonitrile / 90 °C / Inert atmosphere

2: hydrogenchloride / 1,4-dioxane; diethyl ether / 20 °C

With hydrogenchloride; potassium carbonate; In 1,4-dioxane; diethyl ether; acetonitrile;

Reference yield:

: 124731-65-3,124817-92-1
3-(4-cyanophenoxy)pyrrolidine

: 124817-90-9
4-(4,5-Dihydro-3H-pyrrol-3-yloxy)-benzonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 1) Na₂CO₃, t-butyl hypochlorite / 1) H₂O, 2) 0 deg C, 45 min., Et₂O

2: DBU / methanol / 1 h / Heating

With tert-butylhypochlorite; sodium carbonate; 1,8-diazabicyclo[5.4.0]undec-7-ene; In methanol;

Reference yield:

: 124731-65-3,124817-92-1
3-(4-cyanophenoxy)pyrrolidine

: 124731-75-5,124731-76-6
(+)-N-glycine ethyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: 1) Na₂CO₃, t-butyl hypochlorite / 1) H₂O, 2) 0 deg C, 45 min., Et₂O

2: DBU / methanol / 1 h / Heating

3: 1) reflux 3.5 h, 2) room temperature, 12 h

With tert-butylhypochlorite; sodium carbonate; 1,8-diazabicyclo[5.4.0]undec-7-ene; In methanol;