(S)-3-(4-Nitrophenoxy)pyrrolidine hydrochloride

Base Information

• Chemical Name: (S)-3-(4-Nitrophenoxy)pyrrolidine hydrochloride
• CAS No.: 1286207-30-4
• Molecular Formula: C₁₀H₁₂N₂O₃*ClH
• Molecular Weight: 244.678
• Mol file: 1286207-30-4.mol

Synonyms:1286207-30-4;(S)-3-(4-Nitrophenoxy)pyrrolidine hydrochloride;(S)-3-(4-Nitrophenoxy)pyrrolidine HCl;(3S)-3-(4-nitrophenoxy)pyrrolidine;hydrochloride;SCHEMBL16513798;KMTLAWJEKPIRFL-PPHPATTJSA-N;KS-5726;CS-0338015;(S)-3-(4-Nitrophenoxy)pyrrolidinehydrochloride;C77840;(S)-3-(4-nitrophenoxyl)pyrrolidine hydrochloride

Chemical Property of (S)-3-(4-Nitrophenoxy)pyrrolidine hydrochloride

Chemical Property:

• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 244.0614700
• Heavy Atom Count: 16
• Complexity: 221

Purity/Quality:

99% ^*data from raw suppliers

(S)-3-(4-Nitrophenoxy)pyrrolidinehydrochloride 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CNCC1OC2=CC=C(C=C2)[N+](=O)[O-].Cl
• Isomeric SMILES: C1CNC[C@H]1OC2=CC=C(C=C2)[N+](=O)[O-].Cl

Technology Process of (S)-3-(4-Nitrophenoxy)pyrrolidine hydrochloride

There total 2 articles about (S)-3-(4-Nitrophenoxy)pyrrolidine 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: 100.0%

(S)-tert-butyl 3-(4-nitrophenoxy)pyrrolidine-1-carboxylate (1233860-29-1,218944-23-1) → (S)-3-(4-nitrophenoxy)pyrrolidine hydrochloride (1286207-30-4)

Guidance literature:

With hydrogenchloride; In ethyl acetate; at 20 ℃; for 1h;

Reference yield:

4-Fluoronitrobenzene (350-46-9,178603-76-4) → (S)-3-(4-nitrophenoxy)pyrrolidine hydrochloride (1286207-30-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydride / N,N-dimethyl acetamide / 0.5 h / 0 °C

1.2: 20 °C

2.1: hydrogenchloride / ethyl acetate / 1 h / 20 °C

With hydrogenchloride; sodium hydride; In N,N-dimethyl acetamide; ethyl acetate;

Reference yield: 88.0%

(S)-3-(4-nitrophenoxy)pyrrolidine hydrochloride (1286207-30-4) + acetyl chloride (75-36-5) → (S)-1-(3-(4-nitrophenoxy)pyrrolidin-1-yl)ethanone

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 1h;

upstream raw materials:

4-Fluoronitrobenzene

(S)-tert-butyl 3-(4-nitrophenoxy)pyrrolidine-1-carboxylate

Refernces